3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride

C12H18Cl2N2O — CID 119685358

IUPAC3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NC(C)c1cccc(Cl)c1.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-8(14)6-12(16)15-9(2)10-4-3-5-11(13)7-10;/h3-5,7-9H,6,14H2,1-2H3,(H,15,16);1H
InChIKeyCNIVFEKKKAEKDF-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.68
Rot. Bonds4

About 3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride

3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride (PubChem CID 119685358) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
PubChem CID119685358
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NC(C)c1cccc(Cl)c1.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-8(14)6-12(16)15-9(2)10-4-3-5-11(13)7-10;/h3-5,7-9H,6,14H2,1-2H3,(H,15,16);1H
InChIKeyCNIVFEKKKAEKDF-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[1-(3-chlorophenyl)ethyl]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

4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559119
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methylbutanamide
CID 81086824
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587021
3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 60837485
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119771237
3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119719418
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
(3S)-3-acetamido-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-phenylpropanamide
CID 9164771
N-[1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 78773548

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride (CID 119685358) is 3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride is CC(N)CC(=O)NC(C)c1cccc(Cl)c1.Cl.
What is the InChIKey of 3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride?
The InChIKey is CNIVFEKKKAEKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c1-8(14)6-12(16)15-9(2)10-4-3-5-11(13)7-10;/h3-5,7-9H,6,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride?
3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride has a molecular weight of 277.19 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119685358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).