2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid

C15H11BrClNO3 — CID 60825460

IUPAC2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11BrClNO3/c16-11-3-1-10(2-4-11)15(21)18(9-14(19)20)13-7-5-12(17)6-8-13/h1-8H,9H2,(H,19,20)
InChIKeyDPNYZADHOWLQAD-UHFFFAOYSA-N
MW368.61 g/mol
LogP3.83
Rot. Bonds4

About 2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid

2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid (PubChem CID 60825460) has the molecular formula C15H11BrClNO3 and a molecular weight of 368.61 g/mol. Its IUPAC name is 2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid
PubChem CID60825460
Molecular FormulaC15H11BrClNO3
Molecular Weight368.61 g/mol
Exact Mass366.96
IUPAC Name2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11BrClNO3/c16-11-3-1-10(2-4-11)15(21)18(9-14(19)20)13-7-5-12(17)6-8-13/h1-8H,9H2,(H,19,20)
InChIKeyDPNYZADHOWLQAD-UHFFFAOYSA-N
XLogP3.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(N-(4-bromobenzoyl)-4-chloroanilino)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-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid
CID 103841255
2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid
CID 61214109
2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid
CID 107517015
2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid
CID 63118172
2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid
CID 60825317
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-benzyl-4-bromo-N-phenylbenzamide
CID 15817231
2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid
CID 60826824
2-(N-(3-amino-2,2,3-trimethylbutanoyl)-4-chloroanilino)acetic acid
CID 65269874
8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid
CID 13025810
2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid
CID 60826661
2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid
CID 61162445

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid?
The IUPAC name of 2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid (CID 60825460) is 2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid.
What is the SMILES notation for 2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid?
The canonical SMILES for 2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid is O=C(O)CN(C(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid?
The InChIKey is DPNYZADHOWLQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO3/c16-11-3-1-10(2-4-11)15(21)18(9-14(19)20)13-7-5-12(17)6-8-13/h1-8H,9H2,(H,19,20).
What are the key properties of 2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid?
2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid has a molecular weight of 368.61 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid is sourced from PubChem (CID 60825460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).