5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid

C15H14ClNO4 — CID 91688008

IUPAC5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid
SMILESCC(C)C(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C15H14ClNO4/c1-8(2)14(18)17-9-3-4-11(16)10(7-9)12-5-6-13(21-12)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyRPHYMTHICNCDOA-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.89
Rot. Bonds4

About 5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid

5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid (PubChem CID 91688008) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid
PubChem CID91688008
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid
SMILESCC(C)C(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C15H14ClNO4/c1-8(2)14(18)17-9-3-4-11(16)10(7-9)12-5-6-13(21-12)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyRPHYMTHICNCDOA-UHFFFAOYSA-N
XLogP3.89
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-chloro-5-[(2-methylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxylic acid
CID 91688438
N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 2892817
N-(3-benzamidophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 1007757
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid
CID 960728
5-(2,3-dichlorophenyl)-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1396155
5-[2-bromo-4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688551
5-(2,5-dichlorophenyl)-N-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 9091487
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide
CID 28666023
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
methyl 5-(5-amino-2-chlorophenyl)furan-2-carboxylate
CID 16762246
5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91688019

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid (CID 91688008) is 5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid is CC(C)C(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid?
The InChIKey is RPHYMTHICNCDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-8(2)14(18)17-9-3-4-11(16)10(7-9)12-5-6-13(21-12)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid?
5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid has a molecular weight of 307.73 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(2-methylpropanoylamino)phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 91688008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).