N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C15H17ClF3NO — CID 46485912

IUPACN-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H17ClF3NO/c1-9-12(16)6-3-7-13(9)20-14(21)10-4-2-5-11(8-10)15(17,18)19/h3,6-7,10-11H,2,4-5,8H2,1H3,(H,20,21)
InChIKeyIBXYXPKYLQRLBF-UHFFFAOYSA-N
MW319.75 g/mol
LogP4.96
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 46485912) has the molecular formula C15H17ClF3NO and a molecular weight of 319.75 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID46485912
Molecular FormulaC15H17ClF3NO
Molecular Weight319.75 g/mol
Exact Mass319.10
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H17ClF3NO/c1-9-12(16)6-3-7-13(9)20-14(21)10-4-2-5-11(8-10)15(17,18)19/h3,6-7,10-11H,2,4-5,8H2,1H3,(H,20,21)
InChIKeyIBXYXPKYLQRLBF-UHFFFAOYSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162
N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 86863737
N-[2-(methylaminomethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119437919
trans-(1S,3S)-N-(2-cyanophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95568627
N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55773022
N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103097942
N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103753587
N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106912255
N-(2-amino-5-methoxyphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119421237
N-(3-chloro-2-methylphenyl)oxane-2-carboxamide
CID 110859024
3-[(3-bromo-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103953226
N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55777756

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 46485912) is N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is Cc1c(Cl)cccc1NC(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is IBXYXPKYLQRLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3NO/c1-9-12(16)6-3-7-13(9)20-14(21)10-4-2-5-11(8-10)15(17,18)19/h3,6-7,10-11H,2,4-5,8H2,1H3,(H,20,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 319.75 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 46485912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).