4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid

C14H8BrCl2NO3 — CID 107812540

IUPAC4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Br)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H8BrCl2NO3/c15-11-2-1-7(14(20)21)5-12(11)18-13(19)8-3-9(16)6-10(17)4-8/h1-6H,(H,18,19)(H,20,21)
InChIKeySVMNFVLSKNFODA-UHFFFAOYSA-N
MW389.03 g/mol
LogP4.71
Rot. Bonds3

About 4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid

4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid (PubChem CID 107812540) has the molecular formula C14H8BrCl2NO3 and a molecular weight of 389.03 g/mol. Its IUPAC name is 4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid
PubChem CID107812540
Molecular FormulaC14H8BrCl2NO3
Molecular Weight389.03 g/mol
Exact Mass386.91
IUPAC Name4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Br)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H8BrCl2NO3/c15-11-2-1-7(14(20)21)5-12(11)18-13(19)8-3-9(16)6-10(17)4-8/h1-6H,(H,18,19)(H,20,21)
InChIKeySVMNFVLSKNFODA-UHFFFAOYSA-N
XLogP4.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.03
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid
CID 107812538
4-bromo-3-[[4-[(2-bromo-5-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
CID 102504163
3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 107937708
4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane
CID 153343129
4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 107812576
4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 107937789
4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid
CID 107812487
4-bromo-3-[(2-bromo-4-methylbenzoyl)amino]benzoic acid
CID 107812622
3-[(3-aminobenzoyl)amino]-4-bromobenzoic acid
CID 107813567
3-[(3-amino-2,2-dimethylpropanoyl)amino]-4-bromobenzoic acid
CID 107813469
N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
CID 81261644
N-(2-bromo-5-fluorophenyl)-3-chloro-5-methylbenzamide
CID 103774481

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid?
The IUPAC name of 4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid (CID 107812540) is 4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid is O=C(O)c1ccc(Br)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid?
The InChIKey is SVMNFVLSKNFODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2NO3/c15-11-2-1-7(14(20)21)5-12(11)18-13(19)8-3-9(16)6-10(17)4-8/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid?
4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid has a molecular weight of 389.03 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 107812540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).