3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride

C11H16Cl2N2O — CID 119673570

IUPAC3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1cccc(Cl)c1.Cl
InChIInChI=1S/C11H15ClN2O.ClH/c1-8(13)5-11(15)14-7-9-3-2-4-10(12)6-9;/h2-4,6,8H,5,7,13H2,1H3,(H,14,15);1H
InChIKeyZTIFHFUILGKFQQ-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.12
Rot. Bonds4

About 3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride

3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride (PubChem CID 119673570) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is 3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride
PubChem CID119673570
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1cccc(Cl)c1.Cl
InChIInChI=1S/C11H15ClN2O.ClH/c1-8(13)5-11(15)14-7-9-3-2-4-10(12)6-9;/h2-4,6,8H,5,7,13H2,1H3,(H,14,15);1H
InChIKeyZTIFHFUILGKFQQ-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride 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

3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731394
3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119719418
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[3-[(3-aminobutanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119745470
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
CID 81082143
3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide
CID 119719419
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120983730
2-[(1-amino-3-methylbutylidene)amino]oxy-N-[(3-chlorophenyl)methyl]acetamide
CID 75264209
3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 119723077
3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide
CID 115154234
ethyl 3-[(3-chlorophenyl)methylamino]-3-oxopropanoate
CID 154305485

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride (CID 119673570) is 3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride is CC(N)CC(=O)NCc1cccc(Cl)c1.Cl.
What is the InChIKey of 3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride?
The InChIKey is ZTIFHFUILGKFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O.ClH/c1-8(13)5-11(15)14-7-9-3-2-4-10(12)6-9;/h2-4,6,8H,5,7,13H2,1H3,(H,14,15);1H.
What are the key properties of 3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride?
3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride has a molecular weight of 263.17 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119673570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).