3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid

C19H14ClNO4 — CID 28670400

IUPAC3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
SMILESCc1ccc(-c2ccc(C(=O)Nc3cccc(C(=O)O)c3)o2)cc1Cl
InChIInChI=1S/C19H14ClNO4/c1-11-5-6-12(10-15(11)20)16-7-8-17(25-16)18(22)21-14-4-2-3-13(9-14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyAATJPXCUFAHEFX-UHFFFAOYSA-N
MW355.78 g/mol
LogP4.86
Rot. Bonds4

About 3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid

3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid (PubChem CID 28670400) has the molecular formula C19H14ClNO4 and a molecular weight of 355.78 g/mol. Its IUPAC name is 3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
PubChem CID28670400
Molecular FormulaC19H14ClNO4
Molecular Weight355.78 g/mol
Exact Mass355.06
IUPAC Name3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
SMILESCc1ccc(-c2ccc(C(=O)Nc3cccc(C(=O)O)c3)o2)cc1Cl
InChIInChI=1S/C19H14ClNO4/c1-11-5-6-12(10-15(11)20)16-7-8-17(25-16)18(22)21-14-4-2-3-13(9-14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyAATJPXCUFAHEFX-UHFFFAOYSA-N
XLogP4.86
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid with MolForge

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Related Compounds

4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28914790
3-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid
CID 5021746
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
N-(3-benzamido-4-methylphenyl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 1344294
5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 878115
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
N-[3-[[(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enoyl]carbamothioylamino]phenyl]benzamide
CID 23101536
3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]-2-methylbenzoic acid
CID 22778933
5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
CID 28669924
N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 2892817
N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 100828700

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid?
The IUPAC name of 3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid (CID 28670400) is 3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid is Cc1ccc(-c2ccc(C(=O)Nc3cccc(C(=O)O)c3)o2)cc1Cl.
What is the InChIKey of 3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid?
The InChIKey is AATJPXCUFAHEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO4/c1-11-5-6-12(10-15(11)20)16-7-8-17(25-16)18(22)21-14-4-2-3-13(9-14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid?
3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid has a molecular weight of 355.78 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 28670400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).