2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid

C12H14BrClN2O3 — CID 81279694

IUPAC2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H14BrClN2O3/c1-7(2)16(6-11(17)18)12(19)15-10-5-8(14)3-4-9(10)13/h3-5,7H,6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNRSCKCSMJFFNAR-UHFFFAOYSA-N
MW349.61 g/mol
LogP3.43
Rot. Bonds4

About 2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid

2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid (PubChem CID 81279694) has the molecular formula C12H14BrClN2O3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid
PubChem CID81279694
Molecular FormulaC12H14BrClN2O3
Molecular Weight349.61 g/mol
Exact Mass347.99
IUPAC Name2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H14BrClN2O3/c1-7(2)16(6-11(17)18)12(19)15-10-5-8(14)3-4-9(10)13/h3-5,7H,6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNRSCKCSMJFFNAR-UHFFFAOYSA-N
XLogP3.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid 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-[(3-bromo-2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 107627218
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide
CID 81264583
3-[(2-bromo-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 82766400
2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid
CID 61181038
2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 81280370
5-(2-bromo-5-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 81264315
2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
2-[butan-2-yl-[(5-chloro-2-methoxyphenyl)carbamoyl]amino]acetic acid
CID 61184960
2-[(2,6-dibromo-4-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 61185909
N-(2-bromo-5-chlorophenyl)-2-methylpentanamide
CID 81272725
2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 61194418

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid (CID 81279694) is 2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid?
The InChIKey is NRSCKCSMJFFNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O3/c1-7(2)16(6-11(17)18)12(19)15-10-5-8(14)3-4-9(10)13/h3-5,7H,6H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid?
2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid has a molecular weight of 349.61 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 81279694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).