2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide

C17H13FN2O2 — CID 4288753

IUPAC2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
SMILESN#CC(=Cc1ccccc1OCc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C17H13FN2O2/c18-15-7-5-12(6-8-15)11-22-16-4-2-1-3-13(16)9-14(10-19)17(20)21/h1-9H,11H2,(H2,20,21)
InChIKeyVICPQNIECDJRND-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.80
Rot. Bonds5

About 2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide

2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide (PubChem CID 4288753) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
PubChem CID4288753
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
SMILESN#CC(=Cc1ccccc1OCc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C17H13FN2O2/c18-15-7-5-12(6-8-15)11-22-16-4-2-1-3-13(16)9-14(10-19)17(20)21/h1-9H,11H2,(H2,20,21)
InChIKeyVICPQNIECDJRND-UHFFFAOYSA-N
XLogP2.80
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.80
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

2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20991185
(E)-2-cyano-3-[2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
CID 75407846
2-cyano-3-[2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
CID 71997113
(Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 44665646
2-benzoyl-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enenitrile
CID 171156894
methyl (Z)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoate
CID 23007391
methyl 2-[2-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenoxy]acetate
CID 71669942
(E)-2-(4-fluorophenyl)sulfonyl-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
CID 2677654
(E)-3-[2-[4-[2-[(E)-2-carboxy-2-cyanoethenyl]phenoxy]butoxy]phenyl]-2-cyanoprop-2-enoic acid
CID 102013525
methyl 4-[[2-[(E)-2-cyano-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 18230155
(Z)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(2,5-dimethylpyrrol-1-yl)prop-2-enamide
CID 126389334
(Z)-2-cyano-N-cyclopentyl-3-[2-[(4-iodophenyl)methoxy]phenyl]prop-2-enamide
CID 126197199

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide?
The IUPAC name of 2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide (CID 4288753) is 2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide.
What is the SMILES notation for 2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide?
The canonical SMILES for 2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide is N#CC(=Cc1ccccc1OCc1ccc(F)cc1)C(N)=O.
What is the InChIKey of 2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide?
The InChIKey is VICPQNIECDJRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-15-7-5-12(6-8-15)11-22-16-4-2-1-3-13(16)9-14(10-19)17(20)21/h1-9H,11H2,(H2,20,21).
What are the key properties of 2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide?
2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide has a molecular weight of 296.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-[2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 4288753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).