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

C23H23FN2O2 — CID 5138750

IUPAC2-cyano-N-cyclohexyl-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
SMILESN#CC(=Cc1ccc(OCc2cccc(F)c2)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C23H23FN2O2/c24-20-6-4-5-18(14-20)16-28-22-11-9-17(10-12-22)13-19(15-25)23(27)26-21-7-2-1-3-8-21/h4-6,9-14,21H,1-3,7-8,16H2,(H,26,27)
InChIKeyGLOOVHOERRLVIG-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.76
Rot. Bonds6

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

2-cyano-N-cyclohexyl-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide (PubChem CID 5138750) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-cyano-N-cyclohexyl-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-cyclohexyl-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
PubChem CID5138750
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name2-cyano-N-cyclohexyl-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
SMILESN#CC(=Cc1ccc(OCc2cccc(F)c2)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C23H23FN2O2/c24-20-6-4-5-18(14-20)16-28-22-11-9-17(10-12-22)13-19(15-25)23(27)26-21-7-2-1-3-8-21/h4-6,9-14,21H,1-3,7-8,16H2,(H,26,27)
InChIKeyGLOOVHOERRLVIG-UHFFFAOYSA-N
XLogP4.76
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.76
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

(Z)-2-cyano-N-cyclopentyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide
CID 17278002
(Z)-3-(4-butoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide
CID 19175534
2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide
CID 5123323
(E)-2-cyano-N-cyclohexyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 7784022
(Z)-2-cyano-N-cyclopentyl-3-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 124651956
(E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide
CID 35746509
(2S)-2-[4-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]phenoxy]propanoic acid
CID 801668
(Z)-2-cyano-N-cyclopentyl-3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]prop-2-enamide
CID 126197465
methyl 4-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]benzoate
CID 17373364
2-cyano-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4050122
(Z)-2-cyano-N-cyclopentyl-3-[3-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]prop-2-enamide
CID 126196687
(Z)-3-[3-bromo-5-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-2-cyano-N-cyclopentylprop-2-enamide
CID 126197264

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclohexyl-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide?
The IUPAC name of 2-cyano-N-cyclohexyl-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide (CID 5138750) is 2-cyano-N-cyclohexyl-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide.
What is the SMILES notation for 2-cyano-N-cyclohexyl-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide?
The canonical SMILES for 2-cyano-N-cyclohexyl-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide is N#CC(=Cc1ccc(OCc2cccc(F)c2)cc1)C(=O)NC1CCCCC1.
What is the InChIKey of 2-cyano-N-cyclohexyl-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide?
The InChIKey is GLOOVHOERRLVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c24-20-6-4-5-18(14-20)16-28-22-11-9-17(10-12-22)13-19(15-25)23(27)26-21-7-2-1-3-8-21/h4-6,9-14,21H,1-3,7-8,16H2,(H,26,27).
What are the key properties of 2-cyano-N-cyclohexyl-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide?
2-cyano-N-cyclohexyl-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide has a molecular weight of 378.45 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclohexyl-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 5138750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).