5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid

C19H15NO4 — CID 91688574

IUPAC5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)o2)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C19H15NO4/c1-12-7-8-14(16-9-10-17(24-16)19(22)23)15(11-12)20-18(21)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyPRORMQRSRWKMOH-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.21
Rot. Bonds4

About 5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid

5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid (PubChem CID 91688574) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid
PubChem CID91688574
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)o2)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C19H15NO4/c1-12-7-8-14(16-9-10-17(24-16)19(22)23)15(11-12)20-18(21)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyPRORMQRSRWKMOH-UHFFFAOYSA-N
XLogP4.21
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-acetamido-4-methylphenyl)furan-2-carboxylic acid
CID 21105518
5-[4-bromo-2-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688589
5-[2-[(4-methylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxylic acid
CID 91688353
5-[2-(2,2-dimethylpropanoylcarbamothioylamino)-4-methylphenyl]furan-2-carboxylic acid
CID 91687763
5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688511
5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688518
5-(2-acetamidophenyl)furan-2-carboxylic acid
CID 91687919
5-[2-(hexanoylcarbamothioylamino)-4-methylphenyl]furan-2-carboxylic acid
CID 91687758
5-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]furan-2-carboxylic acid
CID 91688170
5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91687940
N-(5-methyl-2-prop-1-en-2-ylphenyl)benzamide
CID 154709927
5-[4-chloro-2-[(4-ethylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxylic acid
CID 91688366

Frequently Asked Questions

What is the IUPAC name of 5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid (CID 91688574) is 5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid is Cc1ccc(-c2ccc(C(=O)O)o2)c(NC(=O)c2ccccc2)c1.
What is the InChIKey of 5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid?
The InChIKey is PRORMQRSRWKMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-12-7-8-14(16-9-10-17(24-16)19(22)23)15(11-12)20-18(21)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)(H,22,23).
What are the key properties of 5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid?
5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid has a molecular weight of 321.33 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid is sourced from PubChem (CID 91688574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).