3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide

C16H11FN2O — CID 71904483

IUPAC3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide
SMILESN#Cc1ccc(C=CC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C16H11FN2O/c17-14-3-1-2-4-15(14)19-16(20)10-9-12-5-7-13(11-18)8-6-12/h1-10H,(H,19,20)
InChIKeyWXIJBQKTEBQKEZ-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.35
Rot. Bonds3

About 3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide

3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide (PubChem CID 71904483) has the molecular formula C16H11FN2O and a molecular weight of 266.28 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide
PubChem CID71904483
Molecular FormulaC16H11FN2O
Molecular Weight266.28 g/mol
Exact Mass266.09
IUPAC Name3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide
SMILESN#Cc1ccc(C=CC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C16H11FN2O/c17-14-3-1-2-4-15(14)19-16(20)10-9-12-5-7-13(11-18)8-6-12/h1-10H,(H,19,20)
InChIKeyWXIJBQKTEBQKEZ-UHFFFAOYSA-N
XLogP3.35
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.35
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

N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
4-[(E)-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300734
(E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 26289833
(E)-3-(4-cyanophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]prop-2-enehydrazide
CID 24641261
(E)-N-(2-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 46547414
(E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 917674
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-fluorophenyl)prop-2-enamide
CID 18863151
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-fluorophenyl)prop-2-enamide
CID 875310
(Z)-N'-(2-fluorophenyl)but-2-enediamide
CID 141192476
(E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 17164885
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of 3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide (CID 71904483) is 3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide is N#Cc1ccc(C=CC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide?
The InChIKey is WXIJBQKTEBQKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O/c17-14-3-1-2-4-15(14)19-16(20)10-9-12-5-7-13(11-18)8-6-12/h1-10H,(H,19,20).
What are the key properties of 3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide?
3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide has a molecular weight of 266.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 71904483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).