3-(aminomethyl)-N-(3-chlorophenyl)hexanamide

C13H19ClN2O — CID 112516422

IUPAC3-(aminomethyl)-N-(3-chlorophenyl)hexanamide
SMILESCCCC(CN)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-2-4-10(9-15)7-13(17)16-12-6-3-5-11(14)8-12/h3,5-6,8,10H,2,4,7,9,15H2,1H3,(H,16,17)
InChIKeyRWNMWWJDPHUZAG-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.04
Rot. Bonds6

About 3-(aminomethyl)-N-(3-chlorophenyl)hexanamide

3-(aminomethyl)-N-(3-chlorophenyl)hexanamide (PubChem CID 112516422) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-chlorophenyl)hexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-chlorophenyl)hexanamide
PubChem CID112516422
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-(aminomethyl)-N-(3-chlorophenyl)hexanamide
SMILESCCCC(CN)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-2-4-10(9-15)7-13(17)16-12-6-3-5-11(14)8-12/h3,5-6,8,10H,2,4,7,9,15H2,1H3,(H,16,17)
InChIKeyRWNMWWJDPHUZAG-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-N-(3-chlorophenyl)hexanamide 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-(3-chloroanilino)-2-oxoethyl]pentanoic acid
CID 112517515
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
2-bromo-N-(3-chlorophenyl)pentanamide
CID 19256824
5-(3-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 62965895
3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 81075870
4-(3-chloroanilino)-2-(dimethylazaniumyl)-4-oxobutanoate
CID 3379410
5-amino-N-(3-chlorophenyl)hexanamide
CID 82849187
(2S)-4-(3-chloroanilino)-2-(dimethylazaniumyl)-4-oxobutanoate
CID 6936474
4-amino-3-(3-chloroanilino)-N-propylbutanamide
CID 66429319
N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide
CID 62199666
3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide
CID 81075821

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-chlorophenyl)hexanamide?
The IUPAC name of 3-(aminomethyl)-N-(3-chlorophenyl)hexanamide (CID 112516422) is 3-(aminomethyl)-N-(3-chlorophenyl)hexanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-chlorophenyl)hexanamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-chlorophenyl)hexanamide is CCCC(CN)CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-(aminomethyl)-N-(3-chlorophenyl)hexanamide?
The InChIKey is RWNMWWJDPHUZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-2-4-10(9-15)7-13(17)16-12-6-3-5-11(14)8-12/h3,5-6,8,10H,2,4,7,9,15H2,1H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-N-(3-chlorophenyl)hexanamide?
3-(aminomethyl)-N-(3-chlorophenyl)hexanamide has a molecular weight of 254.76 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-chlorophenyl)hexanamide is sourced from PubChem (CID 112516422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).