4-[(2,5-dibromobenzoyl)amino]benzoic acid

C14H9Br2NO3 — CID 114367797

IUPAC4-[(2,5-dibromobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C14H9Br2NO3/c15-9-3-6-12(16)11(7-9)13(18)17-10-4-1-8(2-5-10)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyBNKWSWROXYVQEP-UHFFFAOYSA-N
MW399.04 g/mol
LogP4.16
Rot. Bonds3

About 4-[(2,5-dibromobenzoyl)amino]benzoic acid

4-[(2,5-dibromobenzoyl)amino]benzoic acid (PubChem CID 114367797) has the molecular formula C14H9Br2NO3 and a molecular weight of 399.04 g/mol. Its IUPAC name is 4-[(2,5-dibromobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(2,5-dibromobenzoyl)amino]benzoic acid
PubChem CID114367797
Molecular FormulaC14H9Br2NO3
Molecular Weight399.04 g/mol
Exact Mass396.89
IUPAC Name4-[(2,5-dibromobenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C14H9Br2NO3/c15-9-3-6-12(16)11(7-9)13(18)17-10-4-1-8(2-5-10)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyBNKWSWROXYVQEP-UHFFFAOYSA-N
XLogP4.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.04
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 24703063
4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid
CID 107793046
4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038
4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367860
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768
2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide
CID 114370108
2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid
CID 114368080
4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
CID 155193999
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 114369877
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
5-amino-2-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367733

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dibromobenzoyl)amino]benzoic acid?
The IUPAC name of 4-[(2,5-dibromobenzoyl)amino]benzoic acid (CID 114367797) is 4-[(2,5-dibromobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-[(2,5-dibromobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-[(2,5-dibromobenzoyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2cc(Br)ccc2Br)cc1.
What is the InChIKey of 4-[(2,5-dibromobenzoyl)amino]benzoic acid?
The InChIKey is BNKWSWROXYVQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2NO3/c15-9-3-6-12(16)11(7-9)13(18)17-10-4-1-8(2-5-10)14(19)20/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 4-[(2,5-dibromobenzoyl)amino]benzoic acid?
4-[(2,5-dibromobenzoyl)amino]benzoic acid has a molecular weight of 399.04 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dibromobenzoyl)amino]benzoic acid is sourced from PubChem (CID 114367797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).