3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide

C15H13NO3 — CID 703675

IUPAC3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide
SMILESCC(=O)c1ccc(C=CC(=O)Nc2ccccc2)o1
InChIInChI=1S/C15H13NO3/c1-11(17)14-9-7-13(19-14)8-10-15(18)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18)
InChIKeyQYUGPLCQCUORGU-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.13
Rot. Bonds4

About 3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide

3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide (PubChem CID 703675) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide
PubChem CID703675
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide
SMILESCC(=O)c1ccc(C=CC(=O)Nc2ccccc2)o1
InChIInChI=1S/C15H13NO3/c1-11(17)14-9-7-13(19-14)8-10-15(18)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18)
InChIKeyQYUGPLCQCUORGU-UHFFFAOYSA-N
XLogP3.13
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Phenyl-2-furancarboxamide
CID 220406
N-(3-fluorophenyl)furan-2-carboxamide
CID 306831
4'-Methoxy-2-furanilide
CID 303388
N-(4-Fluorophenyl)-2-furamide
CID 531893
N-(4-acetamidophenyl)-5-acetylfuran-2-carboxamide
CID 155427942
(2Z)-3-(2-furyl)-N-(2-methoxyphenyl)acrylamide
CID 2303040
N-(3-methoxyphenyl)furan-2-carboxamide
CID 669405
Furfuryl N-phenylcarbamate
CID 232376
(2E)-N-(4-Acetylphenyl)-3-(5-ethyl-2-furyl)acrylamide
CID 7464118
5-methyl-N-(2-phenoxyphenyl)furan-2-carboxamide
CID 690634
(2E)-3-(furan-2-yl)-N-(3-methoxyphenyl)prop-2-enamide
CID 963804
N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
CID 2462607

Frequently Asked Questions

What is the IUPAC name of 3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide?
The IUPAC name of 3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide (CID 703675) is 3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide.
What is the SMILES notation for 3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide?
The canonical SMILES for 3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide is CC(=O)c1ccc(C=CC(=O)Nc2ccccc2)o1.
What is the InChIKey of 3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide?
The InChIKey is QYUGPLCQCUORGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-11(17)14-9-7-13(19-14)8-10-15(18)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18).
What are the key properties of 3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide?
3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide has a molecular weight of 255.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide is sourced from PubChem (CID 703675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).