2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide

C14H11FN2O2 — CID 82120901

IUPAC2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide
SMILESN#CC(Cc1ccco1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN2O2/c15-11-3-5-12(6-4-11)17-14(18)10(9-16)8-13-2-1-7-19-13/h1-7,10H,8H2,(H,17,18)
InChIKeyRNKRFMLGXBZSRQ-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.74
Rot. Bonds4

About 2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide

2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide (PubChem CID 82120901) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide
PubChem CID82120901
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide
SMILESN#CC(Cc1ccco1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN2O2/c15-11-3-5-12(6-4-11)17-14(18)10(9-16)8-13-2-1-7-19-13/h1-7,10H,8H2,(H,17,18)
InChIKeyRNKRFMLGXBZSRQ-UHFFFAOYSA-N
XLogP2.74
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium
CID 7986750
2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 110296237
N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43082939
3-cyano-N-(4-fluorophenyl)-2-methylpropanamide
CID 82112843
1-(4-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607946
2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 47052840
N'-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605203
2-cyano-N-(4-fluorophenyl)-3-oxopentanamide
CID 54427068
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 110296194
(2S)-3-(2-chloro-5,8-dimethylquinolin-3-yl)-2-cyano-N-(4-fluorophenyl)propanamide
CID 1140213
N-[(1S)-2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 92735706

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The IUPAC name of 2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide (CID 82120901) is 2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The canonical SMILES for 2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide is N#CC(Cc1ccco1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The InChIKey is RNKRFMLGXBZSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-11-3-5-12(6-4-11)17-14(18)10(9-16)8-13-2-1-7-19-13/h1-7,10H,8H2,(H,17,18).
What are the key properties of 2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide has a molecular weight of 258.25 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 82120901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).