2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid

C14H9BrClNO3 — CID 9320346

IUPAC2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrClNO3/c15-9-3-1-8(2-4-9)13(18)17-12-6-5-10(16)7-11(12)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyLCDFXMZTPDOOTG-UHFFFAOYSA-N
MW354.59 g/mol
LogP4.05
Rot. Bonds3

About 2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid

2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid (PubChem CID 9320346) has the molecular formula C14H9BrClNO3 and a molecular weight of 354.59 g/mol. Its IUPAC name is 2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
PubChem CID9320346
Molecular FormulaC14H9BrClNO3
Molecular Weight354.59 g/mol
Exact Mass352.95
IUPAC Name2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrClNO3/c15-9-3-1-8(2-4-9)13(18)17-12-6-5-10(16)7-11(12)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyLCDFXMZTPDOOTG-UHFFFAOYSA-N
XLogP4.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573
5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45433715
2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoic acid
CID 66468610
2-[(4-bromo-2-hydroxybenzoyl)amino]-5-chlorobenzoic acid
CID 63405092
4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593
5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid
CID 63115662
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107997828
5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45434078
5-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 888716
4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid
CID 22672074
5-chloro-2-(furan-3-carbonylamino)benzoic acid
CID 16771214
2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid
CID 5181471

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid?
The IUPAC name of 2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid (CID 9320346) is 2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid.
What is the SMILES notation for 2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid?
The canonical SMILES for 2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid is O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid?
The InChIKey is LCDFXMZTPDOOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO3/c15-9-3-1-8(2-4-9)13(18)17-12-6-5-10(16)7-11(12)14(19)20/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid?
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid has a molecular weight of 354.59 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid is sourced from PubChem (CID 9320346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).