5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid

C19H14ClNO4 — CID 91688518

IUPAC5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)O)o3)ccc2Cl)cc1
InChIInChI=1S/C19H14ClNO4/c1-11-2-4-12(5-3-11)18(22)21-15-10-13(6-7-14(15)20)16-8-9-17(25-16)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyCVZOLFCCJPUEAH-UHFFFAOYSA-N
MW355.78 g/mol
LogP4.86
Rot. Bonds4

About 5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid

5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid (PubChem CID 91688518) has the molecular formula C19H14ClNO4 and a molecular weight of 355.78 g/mol. Its IUPAC name is 5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
PubChem CID91688518
Molecular FormulaC19H14ClNO4
Molecular Weight355.78 g/mol
Exact Mass355.06
IUPAC Name5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)O)o3)ccc2Cl)cc1
InChIInChI=1S/C19H14ClNO4/c1-11-2-4-12(5-3-11)18(22)21-15-10-13(6-7-14(15)20)16-8-9-17(25-16)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyCVZOLFCCJPUEAH-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

5-[3-[(4-tert-butylbenzoyl)amino]-4-chlorophenyl]furan-2-carboxylic acid
CID 91688516
5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688511
5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91687991
5-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
CID 91688117
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide
CID 28668422
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid
CID 91688574
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3551441
4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235603
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28914790
5-[4-chloro-3-(cyclohexanecarbonylcarbamothioylamino)phenyl]furan-2-carboxylic acid
CID 91687917

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid (CID 91688518) is 5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid is Cc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)O)o3)ccc2Cl)cc1.
What is the InChIKey of 5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid?
The InChIKey is CVZOLFCCJPUEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO4/c1-11-2-4-12(5-3-11)18(22)21-15-10-13(6-7-14(15)20)16-8-9-17(25-16)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24).
What are the key properties of 5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid?
5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic 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 5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 91688518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).