Molecule
ID:1044232
General Information
Molecular Formula
C₁₆H₁₃ClN₂O
Molecular Mass
284.7402226924896
Exact Mass
284.0716406106949
Charge
0
InChI
InChI=1/C16H13ClN2O/c17-12-5-7-13(8-6-12)19-16(20)9-11-10-18-15-4-2-1-3-14(11)15/h1-8,10,18H,9H2,(H,19,20)
InChIKey
HRJBSKZNFFYFII-UHFFFAOYNA-N
Canonic Smiles
O=C(CC1=CNc2ccccc12)Nc3ccc(Cl)cc3
Isomeric Smiles
O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1
Calculated Properties
Provided by Enamine
CLogP
3.66
H Donor
2
Polar Surface Area
44.89
Rotatable Bonds
3
JChem
Log P
3.75
LogD (pH = 7.4)
3.75
LogD (pH = 5.5)
3.75
Rotatable Bonds
3
H Donor
2
H Acceptors
1
Polar Surface Area
44.89
Molar Refractivity
81
Polarizability
29.75
Acid pKa
13.92
Lipinski's Rule of Five
true
LOG S
-4.65
Names and Identifiers
IUPAC Traditional name
N-(4-chlorophenyl)-2-(1H-indol-3-yl)acetamide
IUPAC name
N-(4-chlorophenyl)-2-(1H-indol-3-yl)acetamide
Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity