2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide

C16H11FN2O2 — CID 4517104

IUPAC2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESN#CC(=Cc1ccccc1F)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C16H11FN2O2/c17-15-4-2-1-3-11(15)9-12(10-18)16(21)19-13-5-7-14(20)8-6-13/h1-9,20H,(H,19,21)
InChIKeyPEXGPVYDJBKEEO-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.08
Rot. Bonds3

About 2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide

2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 4517104) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
PubChem CID4517104
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESN#CC(=Cc1ccccc1F)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C16H11FN2O2/c17-15-4-2-1-3-11(15)9-12(10-18)16(21)19-13-5-7-14(20)8-6-13/h1-9,20H,(H,19,21)
InChIKeyPEXGPVYDJBKEEO-UHFFFAOYSA-N
XLogP3.08
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-3-[2-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]-N-(4-hydroxyphenyl)prop-2-enamide
CID 4661995
(Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide
CID 878957
(Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide
CID 19183427
(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
CID 869414
(Z)-2-cyano-3-(2-fluorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 51166998
2-cyano-N-(1,1-dioxo-1-benzothiophen-6-yl)-3-(2-fluorophenyl)prop-2-enamide
CID 118571106
(Z)-2-cyano-3-(2-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 51167138
2-cyano-3-(2,3-difluorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 72688933
N-(4-chlorophenyl)-2-cyano-3-(2-methylphenyl)prop-2-enamide
CID 2865855
(E)-2-cyano-N-(2,3-dimethylphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 51167071
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 7969019
(E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 954076

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide (CID 4517104) is 2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide is N#CC(=Cc1ccccc1F)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of 2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is PEXGPVYDJBKEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-15-4-2-1-3-11(15)9-12(10-18)16(21)19-13-5-7-14(20)8-6-13/h1-9,20H,(H,19,21).
What are the key properties of 2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 282.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 4517104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).