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

C19H14ClNO4 — CID 28914790

IUPAC4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)o2)cc1Cl
InChIInChI=1S/C19H14ClNO4/c1-11-2-3-13(10-15(11)20)16-8-9-17(25-16)18(22)21-14-6-4-12(5-7-14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyQZBSWMKHLHQLLA-UHFFFAOYSA-N
MW355.78 g/mol
LogP4.86
Rot. Bonds4

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

4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid (PubChem CID 28914790) has the molecular formula C19H14ClNO4 and a molecular weight of 355.78 g/mol. Its IUPAC name is 4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
PubChem CID28914790
Molecular FormulaC19H14ClNO4
Molecular Weight355.78 g/mol
Exact Mass355.06
IUPAC Name4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)o2)cc1Cl
InChIInChI=1S/C19H14ClNO4/c1-11-2-3-13(10-15(11)20)16-8-9-17(25-16)18(22)21-14-6-4-12(5-7-14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyQZBSWMKHLHQLLA-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

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Related Compounds

3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28670400
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 54858481
5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 878115
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 54858572
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
5-(4-acetylphenyl)-N-(4-methylphenyl)furan-2-carboxamide
CID 9291217
4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
CID 28669924
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 4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid (CID 28914790) is 4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid is Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)o2)cc1Cl.
What is the InChIKey of 4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid?
The InChIKey is QZBSWMKHLHQLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO4/c1-11-2-3-13(10-15(11)20)16-8-9-17(25-16)18(22)21-14-6-4-12(5-7-14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid?
4-[[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 4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 28914790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).