2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide

C16H14ClN3O — CID 107808029

IUPAC2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)Cc2ccccc2CN)c(Cl)c1
InChIInChI=1S/C16H14ClN3O/c17-14-7-11(9-18)5-6-15(14)20-16(21)8-12-3-1-2-4-13(12)10-19/h1-7H,8,10,19H2,(H,20,21)
InChIKeyPAXXBNGRLYBINO-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.85
Rot. Bonds4

About 2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide (PubChem CID 107808029) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide
PubChem CID107808029
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)Cc2ccccc2CN)c(Cl)c1
InChIInChI=1S/C16H14ClN3O/c17-14-7-11(9-18)5-6-15(14)20-16(21)8-12-3-1-2-4-13(12)10-19/h1-7H,8,10,19H2,(H,20,21)
InChIKeyPAXXBNGRLYBINO-UHFFFAOYSA-N
XLogP2.85
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide
CID 81311876
2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798189
2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide
CID 103792073
1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
CID 107808221
N-(4-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 18069719
3-chloro-4-[(2-ethylphenyl)methylamino]benzonitrile
CID 64680342
2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide
CID 114003459
2-[[2-[(2-chloro-4-cyanophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 107809314
1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea
CID 107808212
N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide
CID 107808194
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806
(2S)-2-amino-N-(2-chloro-4-cyanophenyl)-3-methylpentanamide
CID 107808073

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide (CID 107808029) is 2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)Cc2ccccc2CN)c(Cl)c1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide?
The InChIKey is PAXXBNGRLYBINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-14-7-11(9-18)5-6-15(14)20-16(21)8-12-3-1-2-4-13(12)10-19/h1-7H,8,10,19H2,(H,20,21).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide has a molecular weight of 299.76 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide is sourced from PubChem (CID 107808029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).