2-amino-N-(2-bromo-5-chlorophenyl)propanamide

C9H10BrClN2O — CID 81270376

IUPAC2-amino-N-(2-bromo-5-chlorophenyl)propanamide
SMILESCC(N)C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C9H10BrClN2O/c1-5(12)9(14)13-8-4-6(11)2-3-7(8)10/h2-5H,12H2,1H3,(H,13,14)
InChIKeySGNZXVSLGNDRMJ-UHFFFAOYSA-N
MW277.55 g/mol
LogP2.39
Rot. Bonds2

About 2-amino-N-(2-bromo-5-chlorophenyl)propanamide

2-amino-N-(2-bromo-5-chlorophenyl)propanamide (PubChem CID 81270376) has the molecular formula C9H10BrClN2O and a molecular weight of 277.55 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-5-chlorophenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-5-chlorophenyl)propanamide
PubChem CID81270376
Molecular FormulaC9H10BrClN2O
Molecular Weight277.55 g/mol
Exact Mass275.97
IUPAC Name2-amino-N-(2-bromo-5-chlorophenyl)propanamide
SMILESCC(N)C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C9H10BrClN2O/c1-5(12)9(14)13-8-4-6(11)2-3-7(8)10/h2-5H,12H2,1H3,(H,13,14)
InChIKeySGNZXVSLGNDRMJ-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide
CID 81271294
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide
CID 81264583
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698
(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
CID 82757390
(3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide
CID 81274652
(2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride
CID 119310318
N-(2-bromo-5-chlorophenyl)-2-methylpentanamide
CID 81272725
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
4-amino-5-(2-bromo-5-chloroanilino)-5-oxopentanoic acid
CID 81270730
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580
2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide
CID 81270389
2-(2-bromo-5-chloroanilino)propanamide
CID 81281042

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-5-chlorophenyl)propanamide?
The IUPAC name of 2-amino-N-(2-bromo-5-chlorophenyl)propanamide (CID 81270376) is 2-amino-N-(2-bromo-5-chlorophenyl)propanamide.
What is the SMILES notation for 2-amino-N-(2-bromo-5-chlorophenyl)propanamide?
The canonical SMILES for 2-amino-N-(2-bromo-5-chlorophenyl)propanamide is CC(N)C(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-5-chlorophenyl)propanamide?
The InChIKey is SGNZXVSLGNDRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O/c1-5(12)9(14)13-8-4-6(11)2-3-7(8)10/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-(2-bromo-5-chlorophenyl)propanamide?
2-amino-N-(2-bromo-5-chlorophenyl)propanamide has a molecular weight of 277.55 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-5-chlorophenyl)propanamide is sourced from PubChem (CID 81270376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).