(2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride

C12H18BrClN2O — CID 119291319

IUPAC(2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride
SMILESCCc1cc(Br)ccc1NC(=O)[C@@H](N)CC.Cl
InChIInChI=1S/C12H17BrN2O.ClH/c1-3-8-7-9(13)5-6-11(8)15-12(16)10(14)4-2;/h5-7,10H,3-4,14H2,1-2H3,(H,15,16);1H/t10-;/m0./s1
InChIKeyKAXMIXDDJCPVIV-PPHPATTJSA-N
MW321.65 g/mol
LogP3.11
Rot. Bonds4

About (2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride

(2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride (PubChem CID 119291319) has the molecular formula C12H18BrClN2O and a molecular weight of 321.65 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride
PubChem CID119291319
Molecular FormulaC12H18BrClN2O
Molecular Weight321.65 g/mol
Exact Mass320.03
IUPAC Name(2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride
SMILESCCc1cc(Br)ccc1NC(=O)[C@@H](N)CC.Cl
InChIInChI=1S/C12H17BrN2O.ClH/c1-3-8-7-9(13)5-6-11(8)15-12(16)10(14)4-2;/h5-7,10H,3-4,14H2,1-2H3,(H,15,16);1H/t10-;/m0./s1
InChIKeyKAXMIXDDJCPVIV-PPHPATTJSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-(4-bromo-2-ethylphenyl)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

(2S)-2-amino-N-[5-bromo-2-(dimethylamino)phenyl]butanamide
CID 79024173
2-amino-N-(5-bromo-2-fluorophenyl)butanamide
CID 43649633
N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119727073
2-amino-N-(4-bromo-2-ethylphenyl)acetamide;hydrochloride
CID 119291314
2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide
CID 81292193
N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide
CID 81292095
1-(4-bromo-2-ethylphenyl)-3-propylurea
CID 6467713
(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
CID 103793966
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356
2-amino-N-(2-bromophenyl)butanamide
CID 43649425
1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
CID 17217802
2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide
CID 81313356

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride (CID 119291319) is (2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride is CCc1cc(Br)ccc1NC(=O)[C@@H](N)CC.Cl.
What is the InChIKey of (2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride?
The InChIKey is KAXMIXDDJCPVIV-PPHPATTJSA-N. The full InChI is InChI=1S/C12H17BrN2O.ClH/c1-3-8-7-9(13)5-6-11(8)15-12(16)10(14)4-2;/h5-7,10H,3-4,14H2,1-2H3,(H,15,16);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride?
(2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride has a molecular weight of 321.65 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119291319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).