3,4-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxamide

C16H16F3NO — CID 162557694

IUPAC3,4-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCC1=CCC(C(=O)Nc2cccc(C(F)(F)F)c2)C=C1C
InChIInChI=1S/C16H16F3NO/c1-10-6-7-12(8-11(10)2)15(21)20-14-5-3-4-13(9-14)16(17,18)19/h3-6,8-9,12H,7H2,1-2H3,(H,20,21)
InChIKeyAWTRVDCGIOAUNS-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.56
Rot. Bonds2

About 3,4-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxamide

3,4-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 162557694) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 3,4-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxamide
PubChem CID162557694
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name3,4-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCC1=CCC(C(=O)Nc2cccc(C(F)(F)F)c2)C=C1C
InChIInChI=1S/C16H16F3NO/c1-10-6-7-12(8-11(10)2)15(21)20-14-5-3-4-13(9-14)16(17,18)19/h3-6,8-9,12H,7H2,1-2H3,(H,20,21)
InChIKeyAWTRVDCGIOAUNS-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride
CID 91623950
3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 155823176
N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 2856990
1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109145347
(1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 6922380
1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109141616
(1S,2S,3R,4S)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18557826
2,4-dioxo-N-[3-(trifluoromethyl)phenyl]bicyclo[3.2.1]octane-3-carboxamide
CID 11587867
1-N-[2-(dimethylamino)ethyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147133

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 3,4-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxamide (CID 162557694) is 3,4-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 3,4-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 3,4-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxamide is CC1=CCC(C(=O)Nc2cccc(C(F)(F)F)c2)C=C1C.
What is the InChIKey of 3,4-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is AWTRVDCGIOAUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-10-6-7-12(8-11(10)2)15(21)20-14-5-3-4-13(9-14)16(17,18)19/h3-6,8-9,12H,7H2,1-2H3,(H,20,21).
What are the key properties of 3,4-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxamide?
3,4-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 162557694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).