4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid

C12H7BrClNO4 — CID 106850976

IUPAC4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccoc2Br)cc1Cl
InChIInChI=1S/C12H7BrClNO4/c13-10-8(3-4-19-10)11(16)15-6-1-2-7(12(17)18)9(14)5-6/h1-5H,(H,15,16)(H,17,18)
InChIKeyRMJAGEBRNQEIDU-UHFFFAOYSA-N
MW344.55 g/mol
LogP3.65
Rot. Bonds3

About 4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid

4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid (PubChem CID 106850976) has the molecular formula C12H7BrClNO4 and a molecular weight of 344.55 g/mol. Its IUPAC name is 4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid.

Molecular Properties

Compound Name4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid
PubChem CID106850976
Molecular FormulaC12H7BrClNO4
Molecular Weight344.55 g/mol
Exact Mass342.92
IUPAC Name4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccoc2Br)cc1Cl
InChIInChI=1S/C12H7BrClNO4/c13-10-8(3-4-19-10)11(16)15-6-1-2-7(12(17)18)9(14)5-6/h1-5H,(H,15,16)(H,17,18)
InChIKeyRMJAGEBRNQEIDU-UHFFFAOYSA-N
XLogP3.65
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
CID 106851029
4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
CID 28667151
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide
CID 106853250
2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 61398494
2-bromo-N-(6-bromonaphthalen-2-yl)furan-3-carboxamide
CID 106852301
2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid
CID 28668403
2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 28667452
2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319
2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107013493
N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide
CID 106850739
2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718
N-(4-acetylphenyl)-2-bromofuran-3-carboxamide
CID 106852251

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid?
The IUPAC name of 4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid (CID 106850976) is 4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid.
What is the SMILES notation for 4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid?
The canonical SMILES for 4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid is O=C(O)c1ccc(NC(=O)c2ccoc2Br)cc1Cl.
What is the InChIKey of 4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid?
The InChIKey is RMJAGEBRNQEIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClNO4/c13-10-8(3-4-19-10)11(16)15-6-1-2-7(12(17)18)9(14)5-6/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid?
4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid has a molecular weight of 344.55 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid is sourced from PubChem (CID 106850976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).