2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid

C10H10BrClN2O3 — CID 103480815

IUPAC2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C10H10BrClN2O3/c1-14(5-8(15)16)10(17)13-7-4-2-3-6(12)9(7)11/h2-4H,5H2,1H3,(H,13,17)(H,15,16)
InChIKeyMQEIALGYYYSMFQ-UHFFFAOYSA-N
MW321.56 g/mol
LogP2.65
Rot. Bonds3

About 2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid

2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid (PubChem CID 103480815) has the molecular formula C10H10BrClN2O3 and a molecular weight of 321.56 g/mol. Its IUPAC name is 2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid
PubChem CID103480815
Molecular FormulaC10H10BrClN2O3
Molecular Weight321.56 g/mol
Exact Mass319.96
IUPAC Name2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C10H10BrClN2O3/c1-14(5-8(15)16)10(17)13-7-4-2-3-6(12)9(7)11/h2-4H,5H2,1H3,(H,13,17)(H,15,16)
InChIKeyMQEIALGYYYSMFQ-UHFFFAOYSA-N
XLogP2.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.56
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid
CID 43135927
2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid
CID 107439466
2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid
CID 107627390
3-[(3-chloro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61182598
3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid
CID 103477657
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
2-[(2-cyano-3-methylphenyl)carbamoyl-methylamino]acetic acid
CID 114002681
N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide
CID 103479840
2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid
CID 43555976
2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid
CID 43318386

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid?
The IUPAC name of 2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid (CID 103480815) is 2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid is CN(CC(=O)O)C(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of 2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid?
The InChIKey is MQEIALGYYYSMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O3/c1-14(5-8(15)16)10(17)13-7-4-2-3-6(12)9(7)11/h2-4H,5H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid?
2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid has a molecular weight of 321.56 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid is sourced from PubChem (CID 103480815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).