2-[(5-chlorofuran-2-carbonyl)amino]-5-methylbenzoic acid

C13H10ClNO4 — CID 28791203

IUPAC2-[(5-chlorofuran-2-carbonyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2ccc(Cl)o2)c(C(=O)O)c1
InChIInChI=1S/C13H10ClNO4/c1-7-2-3-9(8(6-7)13(17)18)15-12(16)10-4-5-11(14)19-10/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyARGLVJOCLSREOC-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.19
Rot. Bonds3

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

2-[(5-chlorofuran-2-carbonyl)amino]-5-methylbenzoic acid (PubChem CID 28791203) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is 2-[(5-chlorofuran-2-carbonyl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(5-chlorofuran-2-carbonyl)amino]-5-methylbenzoic acid
PubChem CID28791203
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Name2-[(5-chlorofuran-2-carbonyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2ccc(Cl)o2)c(C(=O)O)c1
InChIInChI=1S/C13H10ClNO4/c1-7-2-3-9(8(6-7)13(17)18)15-12(16)10-4-5-11(14)19-10/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyARGLVJOCLSREOC-UHFFFAOYSA-N
XLogP3.19
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
5-fluoro-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 28779501
5-bromo-2-[(5-ethylfuran-2-carbonyl)amino]benzoic acid
CID 62073783
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
CID 107702371
5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)furan-2-carboxamide
CID 113290206
N-(2-amino-4-hydroxyphenyl)-5-chlorofuran-2-carboxamide
CID 107697705
5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
CID 81111004
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
2-[(3-amino-4-bromobenzoyl)amino]-5-methylbenzoic acid
CID 107812978
2-[(2,2-dichloroacetyl)amino]-5-methylbenzoic acid
CID 110465836
5-methyl-2-(pyridine-4-carbonylamino)benzoic acid
CID 24701556

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorofuran-2-carbonyl)amino]-5-methylbenzoic acid?
The IUPAC name of 2-[(5-chlorofuran-2-carbonyl)amino]-5-methylbenzoic acid (CID 28791203) is 2-[(5-chlorofuran-2-carbonyl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(5-chlorofuran-2-carbonyl)amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[(5-chlorofuran-2-carbonyl)amino]-5-methylbenzoic acid is Cc1ccc(NC(=O)c2ccc(Cl)o2)c(C(=O)O)c1.
What is the InChIKey of 2-[(5-chlorofuran-2-carbonyl)amino]-5-methylbenzoic acid?
The InChIKey is ARGLVJOCLSREOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c1-7-2-3-9(8(6-7)13(17)18)15-12(16)10-4-5-11(14)19-10/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-chlorofuran-2-carbonyl)amino]-5-methylbenzoic acid?
2-[(5-chlorofuran-2-carbonyl)amino]-5-methylbenzoic acid has a molecular weight of 279.68 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorofuran-2-carbonyl)amino]-5-methylbenzoic acid is sourced from PubChem (CID 28791203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).