2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide

C15H11FN2O3 — CID 47052840

IUPAC2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide
SMILESN#CC(C(=O)NCc1ccco1)C(=O)c1cccc(F)c1
InChIInChI=1S/C15H11FN2O3/c16-11-4-1-3-10(7-11)14(19)13(8-17)15(20)18-9-12-5-2-6-21-12/h1-7,13H,9H2,(H,18,20)
InChIKeyJETDHELXEMZCGK-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.06
Rot. Bonds5

About 2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide

2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide (PubChem CID 47052840) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide.

Molecular Properties

Compound Name2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide
PubChem CID47052840
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide
SMILESN#CC(C(=O)NCc1ccco1)C(=O)c1cccc(F)c1
InChIInChI=1S/C15H11FN2O3/c16-11-4-1-3-10(7-11)14(19)13(8-17)15(20)18-9-12-5-2-6-21-12/h1-7,13H,9H2,(H,18,20)
InChIKeyJETDHELXEMZCGK-UHFFFAOYSA-N
XLogP2.06
TPSA83.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088700
(2R)-2-cyano-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 951669
3-fluoro-N-[2-(furan-2-ylmethylsulfamoyl)ethyl]benzamide
CID 110345852
2-[2-(3-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)propanamide
CID 43401439
1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053947
2-[ethyl(furan-2-ylmethyl)amino]-1-(3-fluorophenyl)ethanone
CID 62037198
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide
CID 93198867
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19514521
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide
CID 110464446
2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile
CID 43334509

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide?
The IUPAC name of 2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide (CID 47052840) is 2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide.
What is the SMILES notation for 2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide?
The canonical SMILES for 2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide is N#CC(C(=O)NCc1ccco1)C(=O)c1cccc(F)c1.
What is the InChIKey of 2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide?
The InChIKey is JETDHELXEMZCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-11-4-1-3-10(7-11)14(19)13(8-17)15(20)18-9-12-5-2-6-21-12/h1-7,13H,9H2,(H,18,20).
What are the key properties of 2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide?
2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide has a molecular weight of 286.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide is sourced from PubChem (CID 47052840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).