N-[4-(propanoylamino)phenyl]furan-2-carboxamide

C14H14N2O3 — CID 655147

IUPACN-[4-(propanoylamino)phenyl]furan-2-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C14H14N2O3/c1-2-13(17)15-10-5-7-11(8-6-10)16-14(18)12-4-3-9-19-12/h3-9H,2H2,1H3,(H,15,17)(H,16,18)
InChIKeyOQWHSZPEZYYCPL-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.88
Rot. Bonds4

About N-[4-(propanoylamino)phenyl]furan-2-carboxamide

N-[4-(propanoylamino)phenyl]furan-2-carboxamide (PubChem CID 655147) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[4-(propanoylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(propanoylamino)phenyl]furan-2-carboxamide
PubChem CID655147
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-[4-(propanoylamino)phenyl]furan-2-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C14H14N2O3/c1-2-13(17)15-10-5-7-11(8-6-10)16-14(18)12-4-3-9-19-12/h3-9H,2H2,1H3,(H,15,17)(H,16,18)
InChIKeyOQWHSZPEZYYCPL-UHFFFAOYSA-N
XLogP2.88
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(propanoylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(propanoylamino)phenyl]furan-2-carboxamide (CID 655147) is N-[4-(propanoylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(propanoylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(propanoylamino)phenyl]furan-2-carboxamide is CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-(propanoylamino)phenyl]furan-2-carboxamide?
The InChIKey is OQWHSZPEZYYCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-13(17)15-10-5-7-11(8-6-10)16-14(18)12-4-3-9-19-12/h3-9H,2H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[4-(propanoylamino)phenyl]furan-2-carboxamide?
N-[4-(propanoylamino)phenyl]furan-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propanoylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 655147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).