5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid

C13H10BrNO4 — CID 106851029

IUPAC5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2ccoc2Br)cc1C(=O)O
InChIInChI=1S/C13H10BrNO4/c1-7-2-3-8(6-10(7)13(17)18)15-12(16)9-4-5-19-11(9)14/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyVCWLZQCOSDNCNF-UHFFFAOYSA-N
MW324.13 g/mol
LogP3.30
Rot. Bonds3

About 5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid

5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid (PubChem CID 106851029) has the molecular formula C13H10BrNO4 and a molecular weight of 324.13 g/mol. Its IUPAC name is 5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
PubChem CID106851029
Molecular FormulaC13H10BrNO4
Molecular Weight324.13 g/mol
Exact Mass322.98
IUPAC Name5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2ccoc2Br)cc1C(=O)O
InChIInChI=1S/C13H10BrNO4/c1-7-2-3-8(6-10(7)13(17)18)15-12(16)9-4-5-19-11(9)14/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyVCWLZQCOSDNCNF-UHFFFAOYSA-N
XLogP3.30
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid
CID 106850976
2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852863
2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
2-bromo-N-(6-bromonaphthalen-2-yl)furan-3-carboxamide
CID 106852301
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
5-[(5-bromofuran-2-carbonyl)amino]-2-methylbenzoic acid
CID 63652798
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
CID 63654176
5-[(2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63654708

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid?
The IUPAC name of 5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid (CID 106851029) is 5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid is Cc1ccc(NC(=O)c2ccoc2Br)cc1C(=O)O.
What is the InChIKey of 5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid?
The InChIKey is VCWLZQCOSDNCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4/c1-7-2-3-8(6-10(7)13(17)18)15-12(16)9-4-5-19-11(9)14/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid?
5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid has a molecular weight of 324.13 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 106851029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).