5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid

C14H13NO4 — CID 91687940

IUPAC5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid
SMILESCCC(=O)Nc1ccccc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C14H13NO4/c1-2-13(16)15-10-6-4-3-5-9(10)11-7-8-12(19-11)14(17)18/h3-8H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyGJIKSDXTUABWKM-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.99
Rot. Bonds4

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

5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid (PubChem CID 91687940) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid
PubChem CID91687940
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid
SMILESCCC(=O)Nc1ccccc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C14H13NO4/c1-2-13(16)15-10-6-4-3-5-9(10)11-7-8-12(19-11)14(17)18/h3-8H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyGJIKSDXTUABWKM-UHFFFAOYSA-N
XLogP2.99
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-acetamidophenyl)furan-2-carboxylic acid
CID 91687919
5-[3-(butanoylamino)-2-methylphenyl]furan-2-carboxylic acid
CID 91687975
5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91687991
5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91688019
5-[2-[(4-methylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxylic acid
CID 91688353
5-naphthalen-1-ylfuran-2-carboxylic acid
CID 43332928
5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid
CID 91687935
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
5-(2-benzamido-4-methylphenyl)furan-2-carboxylic acid
CID 91688574
N-(2-acetamidophenyl)propanamide
CID 885895
1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-one
CID 62631863
5-(2-acetamido-4-methylphenyl)furan-2-carboxylic acid
CID 21105518

Frequently Asked Questions

What is the IUPAC name of 5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid (CID 91687940) is 5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid is CCC(=O)Nc1ccccc1-c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid?
The InChIKey is GJIKSDXTUABWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-2-13(16)15-10-6-4-3-5-9(10)11-7-8-12(19-11)14(17)18/h3-8H,2H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid?
5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 91687940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).