N-(4,4-difluorocyclohexyl)-2-methyl-3-phenylprop-2-enamide

C16H19F2NO — CID 171137253

IUPACN-(4,4-difluorocyclohexyl)-2-methyl-3-phenylprop-2-enamide
SMILESCC(=Cc1ccccc1)C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C16H19F2NO/c1-12(11-13-5-3-2-4-6-13)15(20)19-14-7-9-16(17,18)10-8-14/h2-6,11,14H,7-10H2,1H3,(H,19,20)
InChIKeyRDOFELOZSBDLIE-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.78
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-2-methyl-3-phenylprop-2-enamide

N-(4,4-difluorocyclohexyl)-2-methyl-3-phenylprop-2-enamide (PubChem CID 171137253) has the molecular formula C16H19F2NO and a molecular weight of 279.33 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2-methyl-3-phenylprop-2-enamide
PubChem CID171137253
Molecular FormulaC16H19F2NO
Molecular Weight279.33 g/mol
Exact Mass279.14
IUPAC NameN-(4,4-difluorocyclohexyl)-2-methyl-3-phenylprop-2-enamide
SMILESCC(=Cc1ccccc1)C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C16H19F2NO/c1-12(11-13-5-3-2-4-6-13)15(20)19-14-7-9-16(17,18)10-8-14/h2-6,11,14H,7-10H2,1H3,(H,19,20)
InChIKeyRDOFELOZSBDLIE-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide
CID 110305319
N-hydroxy-2-methyl-3-phenylprop-2-enamide
CID 141089970
2-methyl-N-(2-oxoazepan-4-yl)-3-phenylprop-2-enamide
CID 54223093
N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 9352240
(E)-N-[2-[[4-(dimethylamino)quinazolin-2-yl]amino]spiro[2.5]octan-6-yl]-2-methyl-3-phenylprop-2-enamide
CID 142228271
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-3-phenylprop-2-enamide
CID 67845595
2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide
CID 3677645
(E)-N-cyclohexyl-3-(2-fluorophenyl)-2-methylprop-2-enamide
CID 110298620
(E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide
CID 6247193
N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 5060325
(Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 6260559
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284785

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2-methyl-3-phenylprop-2-enamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2-methyl-3-phenylprop-2-enamide (CID 171137253) is N-(4,4-difluorocyclohexyl)-2-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2-methyl-3-phenylprop-2-enamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2-methyl-3-phenylprop-2-enamide is CC(=Cc1ccccc1)C(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2-methyl-3-phenylprop-2-enamide?
The InChIKey is RDOFELOZSBDLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO/c1-12(11-13-5-3-2-4-6-13)15(20)19-14-7-9-16(17,18)10-8-14/h2-6,11,14H,7-10H2,1H3,(H,19,20).
What are the key properties of N-(4,4-difluorocyclohexyl)-2-methyl-3-phenylprop-2-enamide?
N-(4,4-difluorocyclohexyl)-2-methyl-3-phenylprop-2-enamide has a molecular weight of 279.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 171137253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).