5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid

C12H8Br2N2O3 — CID 62072760

IUPAC5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1C(=O)O)c1cc(Br)c[nH]1
InChIInChI=1S/C12H8Br2N2O3/c13-6-1-2-9(8(3-6)12(18)19)16-11(17)10-4-7(14)5-15-10/h1-5,15H,(H,16,17)(H,18,19)
InChIKeyXSEAZWCZAZQDIB-UHFFFAOYSA-N
MW388.02 g/mol
LogP3.49
Rot. Bonds3

About 5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid

5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid (PubChem CID 62072760) has the molecular formula C12H8Br2N2O3 and a molecular weight of 388.02 g/mol. Its IUPAC name is 5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid
PubChem CID62072760
Molecular FormulaC12H8Br2N2O3
Molecular Weight388.02 g/mol
Exact Mass385.89
IUPAC Name5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1C(=O)O)c1cc(Br)c[nH]1
InChIInChI=1S/C12H8Br2N2O3/c13-6-1-2-9(8(3-6)12(18)19)16-11(17)10-4-7(14)5-15-10/h1-5,15H,(H,16,17)(H,18,19)
InChIKeyXSEAZWCZAZQDIB-UHFFFAOYSA-N
XLogP3.49
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.02
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 45340154
5-bromo-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 62073266
4-bromo-3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 107812319
5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702530
4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 36679405
5-bromo-2-(carbamoylamino)benzoic acid
CID 54593537
4-bromo-N-(2-hydroxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 18109016
2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid
CID 5181471
5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 45434249
5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
CID 45434103
5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45434078
4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 34284736

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid (CID 62072760) is 5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid is O=C(Nc1ccc(Br)cc1C(=O)O)c1cc(Br)c[nH]1.
What is the InChIKey of 5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid?
The InChIKey is XSEAZWCZAZQDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O3/c13-6-1-2-9(8(3-6)12(18)19)16-11(17)10-4-7(14)5-15-10/h1-5,15H,(H,16,17)(H,18,19).
What are the key properties of 5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid?
5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid has a molecular weight of 388.02 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 62072760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).