2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride

C13H20BrClN2O — CID 119269427

IUPAC2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(C)c1ccccc1Br.Cl
InChIInChI=1S/C13H19BrN2O.ClH/c1-3-6-12(15)13(17)16-9(2)10-7-4-5-8-11(10)14;/h4-5,7-9,12H,3,6,15H2,1-2H3,(H,16,17);1H
InChIKeyTZHSNOKQTOIPEL-UHFFFAOYSA-N
MW335.67 g/mol
LogP3.18
Rot. Bonds5

About 2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride

2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride (PubChem CID 119269427) has the molecular formula C13H20BrClN2O and a molecular weight of 335.67 g/mol. Its IUPAC name is 2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride
PubChem CID119269427
Molecular FormulaC13H20BrClN2O
Molecular Weight335.67 g/mol
Exact Mass334.04
IUPAC Name2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(C)c1ccccc1Br.Cl
InChIInChI=1S/C13H19BrN2O.ClH/c1-3-6-12(15)13(17)16-9(2)10-7-4-5-8-11(10)14;/h4-5,7-9,12H,3,6,15H2,1-2H3,(H,16,17);1H
InChIKeyTZHSNOKQTOIPEL-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.67
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-[1-(2-bromophenyl)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

2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide
CID 81397158
2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983408
2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide
CID 43701793
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 113416387
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 81397513
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406
N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195760
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
benzyl N-[(1S)-1-(2-bromophenyl)ethyl]carbamate
CID 130164899
2-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]-3-methylbutanamide
CID 81383036
(2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 107570243

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride (CID 119269427) is 2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride is CCCC(N)C(=O)NC(C)c1ccccc1Br.Cl.
What is the InChIKey of 2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride?
The InChIKey is TZHSNOKQTOIPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O.ClH/c1-3-6-12(15)13(17)16-9(2)10-7-4-5-8-11(10)14;/h4-5,7-9,12H,3,6,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride?
2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride has a molecular weight of 335.67 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119269427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).