5-(2-acetamidophenyl)furan-2-carboxylic acid

C13H11NO4 — CID 91687919

IUPAC5-(2-acetamidophenyl)furan-2-carboxylic acid
SMILESCC(=O)Nc1ccccc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C13H11NO4/c1-8(15)14-10-5-3-2-4-9(10)11-6-7-12(18-11)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyXEKQJRXJNAFDGN-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.60
Rot. Bonds3

About 5-(2-acetamidophenyl)furan-2-carboxylic acid

5-(2-acetamidophenyl)furan-2-carboxylic acid (PubChem CID 91687919) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-(2-acetamidophenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-acetamidophenyl)furan-2-carboxylic acid
PubChem CID91687919
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name5-(2-acetamidophenyl)furan-2-carboxylic acid
SMILESCC(=O)Nc1ccccc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C13H11NO4/c1-8(15)14-10-5-3-2-4-9(10)11-6-7-12(18-11)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyXEKQJRXJNAFDGN-UHFFFAOYSA-N
XLogP2.60
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-acetamidophenyl)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-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91687940
N-[2-(5-methylfuran-2-yl)phenyl]acetamide
CID 646782
5-(2-acetamido-4-methylphenyl)furan-2-carboxylic acid
CID 21105518
5-[2-[(4-methylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxylic acid
CID 91688353
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid
CID 91688574
5-[3-(butanoylamino)-2-methylphenyl]furan-2-carboxylic acid
CID 91687975
5-naphthalen-1-ylfuran-2-carboxylic acid
CID 43332928
5-(3-bromo-2-methylphenyl)furan-2-carboxylic acid
CID 107626669
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
N-(4-acetamidophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 1251716
N-[2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 135445433

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidophenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-acetamidophenyl)furan-2-carboxylic acid (CID 91687919) is 5-(2-acetamidophenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-acetamidophenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-acetamidophenyl)furan-2-carboxylic acid is CC(=O)Nc1ccccc1-c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-acetamidophenyl)furan-2-carboxylic acid?
The InChIKey is XEKQJRXJNAFDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-8(15)14-10-5-3-2-4-9(10)11-6-7-12(18-11)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-(2-acetamidophenyl)furan-2-carboxylic acid?
5-(2-acetamidophenyl)furan-2-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidophenyl)furan-2-carboxylic acid is sourced from PubChem (CID 91687919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).