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

C16H18F3NO — CID 134047271

IUPACN-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)C1CC=CCC1
InChIInChI=1S/C16H18F3NO/c1-20(15(21)12-7-3-2-4-8-12)11-13-9-5-6-10-14(13)16(17,18)19/h2-3,5-6,9-10,12H,4,7-8,11H2,1H3
InChIKeyGALMXHBKXZBZRE-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.02
Rot. Bonds3

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

N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 134047271) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID134047271
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)C1CC=CCC1
InChIInChI=1S/C16H18F3NO/c1-20(15(21)12-7-3-2-4-8-12)11-13-9-5-6-10-14(13)16(17,18)19/h2-3,5-6,9-10,12H,4,7-8,11H2,1H3
InChIKeyGALMXHBKXZBZRE-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 134047532
cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 77091258
(2R)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 124685551
4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 134047330
N-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 79290569
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-5-carboxamide
CID 155958739
2-(2-chlorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55550792
N-methyl-5-oxo-1-pentan-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 112826771
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 78801154
3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 55575637
2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid
CID 24696987
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047351

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide (CID 134047271) is N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide is CN(Cc1ccccc1C(F)(F)F)C(=O)C1CC=CCC1.
What is the InChIKey of N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is GALMXHBKXZBZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-20(15(21)12-7-3-2-4-8-12)11-13-9-5-6-10-14(13)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-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 134047271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).