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

C13H10BrNO5 — CID 106851150

IUPAC2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)c2ccoc2Br)c(C(=O)O)c1
InChIInChI=1S/C13H10BrNO5/c1-19-7-2-3-10(9(6-7)13(17)18)15-12(16)8-4-5-20-11(8)14/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyRCIQRCDXAXAXMK-UHFFFAOYSA-N
MW340.13 g/mol
LogP3.00
Rot. Bonds4

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

2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid (PubChem CID 106851150) has the molecular formula C13H10BrNO5 and a molecular weight of 340.13 g/mol. Its IUPAC name is 2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid
PubChem CID106851150
Molecular FormulaC13H10BrNO5
Molecular Weight340.13 g/mol
Exact Mass338.97
IUPAC Name2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)c2ccoc2Br)c(C(=O)O)c1
InChIInChI=1S/C13H10BrNO5/c1-19-7-2-3-10(9(6-7)13(17)18)15-12(16)8-4-5-20-11(8)14/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyRCIQRCDXAXAXMK-UHFFFAOYSA-N
XLogP3.00
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.13
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid
CID 115410948
5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
CID 106851029
5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 78980914
methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate
CID 106853285
2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid
CID 78980996
4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid
CID 106850976
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-methylbenzoate
CID 106852729
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 102801339
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 115410984
2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid
CID 104785687
2-bromo-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-3-carboxamide
CID 106855807
2-bromo-N-(4-bromo-2-ethylphenyl)furan-3-carboxamide
CID 106852304

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid?
The IUPAC name of 2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid (CID 106851150) is 2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid?
The canonical SMILES for 2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid is COc1ccc(NC(=O)c2ccoc2Br)c(C(=O)O)c1.
What is the InChIKey of 2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid?
The InChIKey is RCIQRCDXAXAXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO5/c1-19-7-2-3-10(9(6-7)13(17)18)15-12(16)8-4-5-20-11(8)14/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid?
2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid has a molecular weight of 340.13 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid is sourced from PubChem (CID 106851150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).