4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride

C13H20Cl2N2O — CID 120559125

IUPAC4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC(C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-9(15)3-8-13(17)16-10(2)11-4-6-12(14)7-5-11;/h4-7,9-10H,3,8,15H2,1-2H3,(H,16,17);1H
InChIKeyLYBGYBOMUGDDPY-UHFFFAOYSA-N
MW291.22 g/mol
LogP3.07
Rot. Bonds5

About 4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride

4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride (PubChem CID 120559125) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
PubChem CID120559125
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC(C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-9(15)3-8-13(17)16-10(2)11-4-6-12(14)7-5-11;/h4-7,9-10H,3,8,15H2,1-2H3,(H,16,17);1H
InChIKeyLYBGYBOMUGDDPY-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;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

N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide
CID 81354657
5-amino-N-[1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 82011641
4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559119
ethyl 4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-4-oxobutanoate
CID 81356588
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81354540
N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119685501
4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 120563845
5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide
CID 81352741
sodium 4-[1-(4-chlorophenyl)ethylamino]-4-oxobutanoate
CID 154832871
4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide
CID 120562455

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride (CID 120559125) is 4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride is CC(N)CCC(=O)NC(C)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride?
The InChIKey is LYBGYBOMUGDDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O.ClH/c1-9(15)3-8-13(17)16-10(2)11-4-6-12(14)7-5-11;/h4-7,9-10H,3,8,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride?
4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride has a molecular weight of 291.22 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 120559125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).