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

C16H11FN2O2 — CID 2874931

IUPAC2-cyano-N-(4-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide
SMILESN#CC(=Cc1cccc(O)c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H11FN2O2/c17-13-4-6-14(7-5-13)19-16(21)12(10-18)8-11-2-1-3-15(20)9-11/h1-9,20H,(H,19,21)
InChIKeyWNZVACITLPRDJL-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.08
Rot. Bonds3

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

2-cyano-N-(4-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide (PubChem CID 2874931) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-cyano-N-(4-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(4-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide
PubChem CID2874931
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name2-cyano-N-(4-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide
SMILESN#CC(=Cc1cccc(O)c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H11FN2O2/c17-13-4-6-14(7-5-13)19-16(21)12(10-18)8-11-2-1-3-15(20)9-11/h1-9,20H,(H,19,21)
InChIKeyWNZVACITLPRDJL-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3-(3-fluorophenyl)-N-phenylprop-2-enamide
CID 4136731
N-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide
CID 2883454
(E)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide
CID 877231
(Z)-2-cyano-N-(4-fluorophenyl)-3-(4-methoxy-3-methylphenyl)prop-2-enamide
CID 876890
4-[[(Z)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]amino]benzoic acid
CID 2094514
(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
CID 869414
(Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 2188278
(Z)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 2594962
2-cyano-3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 3134707
2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 5025351
(E)-2-cyano-3-(3-hydroxyphenyl)-N-(1,2-oxazol-3-yl)prop-2-enamide
CID 82110838
(E)-3-(3-bromophenyl)-2-cyano-N-phenylprop-2-enamide
CID 27114866

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide?
The IUPAC name of 2-cyano-N-(4-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide (CID 2874931) is 2-cyano-N-(4-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-N-(4-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-N-(4-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide is N#CC(=Cc1cccc(O)c1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-cyano-N-(4-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide?
The InChIKey is WNZVACITLPRDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-13-4-6-14(7-5-13)19-16(21)12(10-18)8-11-2-1-3-15(20)9-11/h1-9,20H,(H,19,21).
What are the key properties of 2-cyano-N-(4-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide?
2-cyano-N-(4-fluorophenyl)-3-(3-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-N-(4-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 2874931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).