N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide

C16H18F3NO2 — CID 134047532

IUPACN-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)C1CC=CCC1
InChIInChI=1S/C16H18F3NO2/c1-20(15(21)12-7-3-2-4-8-12)11-13-9-5-6-10-14(13)22-16(17,18)19/h2-3,5-6,9-10,12H,4,7-8,11H2,1H3
InChIKeyZBBGTNBMUOJHPJ-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.90
Rot. Bonds4

About N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide

N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 134047532) has the molecular formula C16H18F3NO2 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID134047532
Molecular FormulaC16H18F3NO2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC NameN-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)C1CC=CCC1
InChIInChI=1S/C16H18F3NO2/c1-20(15(21)12-7-3-2-4-8-12)11-13-9-5-6-10-14(13)22-16(17,18)19/h2-3,5-6,9-10,12H,4,7-8,11H2,1H3
InChIKeyZBBGTNBMUOJHPJ-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 134047271
(3R)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124685958
cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 124685973
(2S)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 38274296
N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 55861746
(2S)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 94160529
N-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 79290569
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55966797
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38258141
3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119278533

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide (CID 134047532) is N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide is CN(Cc1ccccc1OC(F)(F)F)C(=O)C1CC=CCC1.
What is the InChIKey of N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ZBBGTNBMUOJHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO2/c1-20(15(21)12-7-3-2-4-8-12)11-13-9-5-6-10-14(13)22-16(17,18)19/h2-3,5-6,9-10,12H,4,7-8,11H2,1H3.
What are the key properties of N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 134047532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).