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

C18H15FN2O2 — CID 5025351

IUPAC2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)C(C#N)=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN2O2/c1-2-23-17-9-7-16(8-10-17)21-18(22)14(12-20)11-13-3-5-15(19)6-4-13/h3-11H,2H2,1H3,(H,21,22)
InChIKeyBUZCZLIQRKGCCT-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.77
Rot. Bonds5

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

2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 5025351) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID5025351
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)C(C#N)=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN2O2/c1-2-23-17-9-7-16(8-10-17)21-18(22)14(12-20)11-13-3-5-15(19)6-4-13/h3-11H,2H2,1H3,(H,21,22)
InChIKeyBUZCZLIQRKGCCT-UHFFFAOYSA-N
XLogP3.77
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
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

N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide
CID 3839251
4-[(E)-2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]benzoic acid
CID 727285
2-cyano-3-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 76879710
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 48836654
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 45041756
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 124651936
(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 94851228
(E)-2-cyano-N-(3,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 19174988
(E)-2-cyano-N-(4-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide
CID 40654997
(E)-2-cyano-3-[4-[(2-cyanophenyl)methoxy]phenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 21230420
2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 3828675
2-cyano-3-(4-ethoxyphenyl)-N-(3-propan-2-yloxyphenyl)prop-2-enamide
CID 165344868

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of 2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide (CID 5025351) is 2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide is CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is BUZCZLIQRKGCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-2-23-17-9-7-16(8-10-17)21-18(22)14(12-20)11-13-3-5-15(19)6-4-13/h3-11H,2H2,1H3,(H,21,22).
What are the key properties of 2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide?
2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 310.33 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 5025351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).