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

C14H13NO4 — CID 21105518

IUPAC5-(2-acetamido-4-methylphenyl)furan-2-carboxylic acid
SMILESCC(=O)Nc1cc(C)ccc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C14H13NO4/c1-8-3-4-10(11(7-8)15-9(2)16)12-5-6-13(19-12)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyIINIQVXNJUWVMA-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.91
Rot. Bonds3

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

5-(2-acetamido-4-methylphenyl)furan-2-carboxylic acid (PubChem CID 21105518) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-(2-acetamido-4-methylphenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-acetamido-4-methylphenyl)furan-2-carboxylic acid
PubChem CID21105518
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name5-(2-acetamido-4-methylphenyl)furan-2-carboxylic acid
SMILESCC(=O)Nc1cc(C)ccc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C14H13NO4/c1-8-3-4-10(11(7-8)15-9(2)16)12-5-6-13(19-12)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyIINIQVXNJUWVMA-UHFFFAOYSA-N
XLogP2.91
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid
CID 91688574
5-[2-(2,2-dimethylpropanoylcarbamothioylamino)-4-methylphenyl]furan-2-carboxylic acid
CID 91687763
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-[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-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid
CID 91687935
5-(4-methoxy-2-methylphenyl)furan-2-carboxylic acid
CID 62502482
5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid
CID 91688158
5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide
CID 50879311
5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91687940

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-4-methylphenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-acetamido-4-methylphenyl)furan-2-carboxylic acid (CID 21105518) is 5-(2-acetamido-4-methylphenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-acetamido-4-methylphenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-acetamido-4-methylphenyl)furan-2-carboxylic acid is CC(=O)Nc1cc(C)ccc1-c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-acetamido-4-methylphenyl)furan-2-carboxylic acid?
The InChIKey is IINIQVXNJUWVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-8-3-4-10(11(7-8)15-9(2)16)12-5-6-13(19-12)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-(2-acetamido-4-methylphenyl)furan-2-carboxylic acid?
5-(2-acetamido-4-methylphenyl)furan-2-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-4-methylphenyl)furan-2-carboxylic acid is sourced from PubChem (CID 21105518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).