(E)-2-cyano-3-(2-fluorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide

C17H19FN2O — CID 6262747

IUPAC(E)-2-cyano-3-(2-fluorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide
SMILESCC1CCCCC1NC(=O)/C(C#N)=C/c1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-12-6-2-5-9-16(12)20-17(21)14(11-19)10-13-7-3-4-8-15(13)18/h3-4,7-8,10,12,16H,2,5-6,9H2,1H3,(H,20,21)/b14-10+
InChIKeyDZNBXEIKFUIGLO-GXDHUFHOSA-N
MW286.35 g/mol
LogP3.43
Rot. Bonds3

About (E)-2-cyano-3-(2-fluorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide

(E)-2-cyano-3-(2-fluorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide (PubChem CID 6262747) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is (E)-2-cyano-3-(2-fluorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(2-fluorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide
PubChem CID6262747
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name(E)-2-cyano-3-(2-fluorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide
SMILESCC1CCCCC1NC(=O)/C(C#N)=C/c1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-12-6-2-5-9-16(12)20-17(21)14(11-19)10-13-7-3-4-8-15(13)18/h3-4,7-8,10,12,16H,2,5-6,9H2,1H3,(H,20,21)/b14-10+
InChIKeyDZNBXEIKFUIGLO-GXDHUFHOSA-N
XLogP3.43
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclohexyl-3-(4-fluorophenyl)-N-methylacrylamide
CID 1226777
(2E)-2-cyano-3-(4-fluorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 2133102
2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide
CID 2424258
(E,E)-2-(benzylaminocarbonyl)-3-styrylacrylonitrile
CID 5835419
(2E)-2-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 2187747
N-(1-methyl-3-phenylpropyl)-3-phenylacrylamide
CID 5730620
N-butyl-2-cyano-3-(2,4-difluorophenyl)prop-2-enamide
CID 6514808
5-[2-(3,4-Difluoro-phenyl)-ethylamino]-1-(3-methyl-but-2-enyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 10090676
(E)-2-cyano-N-cyclopropyl-3-phenylprop-2-enamide
CID 2424857
(E)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 2426714
3-(4-fluorophenyl)-N-(1-isopropyl-2-methylpropyl)acrylamide
CID 881322
(3S,6S)-4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-3,6-diisobutyl-piperazin-2-one
CID 68158408

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(2-fluorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(2-fluorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide (CID 6262747) is (E)-2-cyano-3-(2-fluorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(2-fluorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(2-fluorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide is CC1CCCCC1NC(=O)/C(C#N)=C/c1ccccc1F.
What is the InChIKey of (E)-2-cyano-3-(2-fluorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide?
The InChIKey is DZNBXEIKFUIGLO-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12-6-2-5-9-16(12)20-17(21)14(11-19)10-13-7-3-4-8-15(13)18/h3-4,7-8,10,12,16H,2,5-6,9H2,1H3,(H,20,21)/b14-10+.
What are the key properties of (E)-2-cyano-3-(2-fluorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide?
(E)-2-cyano-3-(2-fluorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide has a molecular weight of 286.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(2-fluorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide is sourced from PubChem (CID 6262747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).