2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid

C15H11BrClNO3 — CID 103803917

IUPAC2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C15H11BrClNO3/c16-12-6-5-10(17)8-11(12)15(21)18-13-4-2-1-3-9(13)7-14(19)20/h1-6,8H,7H2,(H,18,21)(H,19,20)
InChIKeyXDRUDVDTJOVJCY-UHFFFAOYSA-N
MW368.61 g/mol
LogP3.98
Rot. Bonds4

About 2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid

2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid (PubChem CID 103803917) has the molecular formula C15H11BrClNO3 and a molecular weight of 368.61 g/mol. Its IUPAC name is 2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid
PubChem CID103803917
Molecular FormulaC15H11BrClNO3
Molecular Weight368.61 g/mol
Exact Mass366.96
IUPAC Name2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C15H11BrClNO3/c16-12-6-5-10(17)8-11(12)15(21)18-13-4-2-1-3-9(13)7-14(19)20/h1-6,8H,7H2,(H,18,21)(H,19,20)
InChIKeyXDRUDVDTJOVJCY-UHFFFAOYSA-N
XLogP3.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]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-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid
CID 107937906
2,5-dichloro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61497828
2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid
CID 62537050
2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 113235199
2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide
CID 114298590
2-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 62535920
2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 62534197
2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide
CID 103747527
2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298395
2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid
CID 62535711
2-bromo-4-chloro-N-(2-chlorophenyl)benzamide
CID 103763135
2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide
CID 103871194

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid (CID 103803917) is 2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid?
The InChIKey is XDRUDVDTJOVJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO3/c16-12-6-5-10(17)8-11(12)15(21)18-13-4-2-1-3-9(13)7-14(19)20/h1-6,8H,7H2,(H,18,21)(H,19,20).
What are the key properties of 2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid?
2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid has a molecular weight of 368.61 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 103803917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).