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

C20H17NO4 — CID 91688511

IUPAC5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)O)o3)ccc2C)cc1
InChIInChI=1S/C20H17NO4/c1-12-3-6-14(7-4-12)19(22)21-16-11-15(8-5-13(16)2)17-9-10-18(25-17)20(23)24/h3-11H,1-2H3,(H,21,22)(H,23,24)
InChIKeyZPEUREQJCLYNAE-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.51
Rot. Bonds4

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

5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid (PubChem CID 91688511) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
PubChem CID91688511
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)O)o3)ccc2C)cc1
InChIInChI=1S/C20H17NO4/c1-12-3-6-14(7-4-12)19(22)21-16-11-15(8-5-13(16)2)17-9-10-18(25-17)20(23)24/h3-11H,1-2H3,(H,21,22)(H,23,24)
InChIKeyZPEUREQJCLYNAE-UHFFFAOYSA-N
XLogP4.51
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688518
5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid
CID 91687982
5-[3-[(4-tert-butylbenzoyl)amino]-4-chlorophenyl]furan-2-carboxylic acid
CID 91688516
5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid
CID 91688574
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide
CID 28667730
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide
CID 28666706
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4873369
N-(3-benzamido-4-methylphenyl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 1344294
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide
CID 28666764
N-(5-bromo-2-methylphenyl)-4-methylbenzamide
CID 43806352
4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28914790

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid (CID 91688511) is 5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid is Cc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)O)o3)ccc2C)cc1.
What is the InChIKey of 5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid?
The InChIKey is ZPEUREQJCLYNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-12-3-6-14(7-4-12)19(22)21-16-11-15(8-5-13(16)2)17-9-10-18(25-17)20(23)24/h3-11H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid?
5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 91688511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).