2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid

C10H10BrClN2O3 — CID 104724802

IUPAC2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid
SMILESCc1cc(Br)c(NC(=O)NCC(=O)O)cc1Cl
InChIInChI=1S/C10H10BrClN2O3/c1-5-2-6(11)8(3-7(5)12)14-10(17)13-4-9(15)16/h2-3H,4H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyKDDISTHGVNICHO-UHFFFAOYSA-N
MW321.56 g/mol
LogP2.62
Rot. Bonds3

About 2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid

2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid (PubChem CID 104724802) has the molecular formula C10H10BrClN2O3 and a molecular weight of 321.56 g/mol. Its IUPAC name is 2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid
PubChem CID104724802
Molecular FormulaC10H10BrClN2O3
Molecular Weight321.56 g/mol
Exact Mass319.96
IUPAC Name2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid
SMILESCc1cc(Br)c(NC(=O)NCC(=O)O)cc1Cl
InChIInChI=1S/C10H10BrClN2O3/c1-5-2-6(11)8(3-7(5)12)14-10(17)13-4-9(15)16/h2-3H,4H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyKDDISTHGVNICHO-UHFFFAOYSA-N
XLogP2.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.56
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]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-[[2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetyl]amino]acetic acid
CID 104724803
3-(2-bromo-5-chloro-4-methylanilino)-3-oxopropanoic acid
CID 104725181
2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid
CID 82502059
2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]butanedioic acid
CID 104724725
2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid
CID 82767167
(2S)-2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]propanoic acid
CID 104724709
3-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]hexanoic acid
CID 104724720
(2R)-2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 104724729
(2R)-2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828915
(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
CID 104723691
N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide
CID 113445559
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
CID 104723589

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid (CID 104724802) is 2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid is Cc1cc(Br)c(NC(=O)NCC(=O)O)cc1Cl.
What is the InChIKey of 2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid?
The InChIKey is KDDISTHGVNICHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O3/c1-5-2-6(11)8(3-7(5)12)14-10(17)13-4-9(15)16/h2-3H,4H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid?
2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid has a molecular weight of 321.56 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 104724802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).