3-(furan-2-yl)-N-phenylprop-2-enamide

C13H11NO2 — CID 578025

IUPAC3-(furan-2-yl)-N-phenylprop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1ccccc1
InChIInChI=1S/C13H11NO2/c15-13(9-8-12-7-4-10-16-12)14-11-5-2-1-3-6-11/h1-10H,(H,14,15)
InChIKeyMCMXBVCCALXJPS-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.93
Rot. Bonds3

About 3-(furan-2-yl)-N-phenylprop-2-enamide

3-(furan-2-yl)-N-phenylprop-2-enamide (PubChem CID 578025) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-phenylprop-2-enamide
PubChem CID578025
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name3-(furan-2-yl)-N-phenylprop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1ccccc1
InChIInChI=1S/C13H11NO2/c15-13(9-8-12-7-4-10-16-12)14-11-5-2-1-3-6-11/h1-10H,(H,14,15)
InChIKeyMCMXBVCCALXJPS-UHFFFAOYSA-N
XLogP2.93
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea
CID 695806
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide
CID 6134574
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 92958877
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1489531
(E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 60536532
(E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 37243408
methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 2303057
(E)-N-[4-(difluoromethylsulfonyl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 7942006

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-phenylprop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-phenylprop-2-enamide (CID 578025) is 3-(furan-2-yl)-N-phenylprop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-phenylprop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-phenylprop-2-enamide is O=C(C=Cc1ccco1)Nc1ccccc1.
What is the InChIKey of 3-(furan-2-yl)-N-phenylprop-2-enamide?
The InChIKey is MCMXBVCCALXJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13(9-8-12-7-4-10-16-12)14-11-5-2-1-3-6-11/h1-10H,(H,14,15).
What are the key properties of 3-(furan-2-yl)-N-phenylprop-2-enamide?
3-(furan-2-yl)-N-phenylprop-2-enamide has a molecular weight of 213.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-phenylprop-2-enamide is sourced from PubChem (CID 578025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).