N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C16H17F6NO — CID 55773022

IUPACN-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC(C(F)(F)F)C2)cc1C(F)(F)F
InChIInChI=1S/C16H17F6NO/c1-9-5-6-12(8-13(9)16(20,21)22)23-14(24)10-3-2-4-11(7-10)15(17,18)19/h5-6,8,10-11H,2-4,7H2,1H3,(H,23,24)
InChIKeyKDTGXUPSRUGLPL-UHFFFAOYSA-N
MW353.31 g/mol
LogP5.32
Rot. Bonds2

About N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 55773022) has the molecular formula C16H17F6NO and a molecular weight of 353.31 g/mol. Its IUPAC name is N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID55773022
Molecular FormulaC16H17F6NO
Molecular Weight353.31 g/mol
Exact Mass353.12
IUPAC NameN-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC(C(F)(F)F)C2)cc1C(F)(F)F
InChIInChI=1S/C16H17F6NO/c1-9-5-6-12(8-13(9)16(20,21)22)23-14(24)10-3-2-4-11(7-10)15(17,18)19/h5-6,8,10-11H,2-4,7H2,1H3,(H,23,24)
InChIKeyKDTGXUPSRUGLPL-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.31
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106912255
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115661550
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60509557
2-methyl-2-[4-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]phenyl]propanoic acid
CID 119254310
N-[3-(methylaminomethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119441034
N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 138042321
2-[3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]phenyl]acetic acid
CID 119352029
N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119515799
N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 46485912
1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121
1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 55741414

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 55773022) is N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCCC(C(F)(F)F)C2)cc1C(F)(F)F.
What is the InChIKey of N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is KDTGXUPSRUGLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F6NO/c1-9-5-6-12(8-13(9)16(20,21)22)23-14(24)10-3-2-4-11(7-10)15(17,18)19/h5-6,8,10-11H,2-4,7H2,1H3,(H,23,24).
What are the key properties of N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 353.31 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55773022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).