N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide

C14H14ClF4NO — CID 114301247

IUPACN-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCCC1Cl)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H14ClF4NO/c15-10-6-1-2-7-11(10)20-13(21)8-4-3-5-9(12(8)16)14(17,18)19/h3-5,10-11H,1-2,6-7H2,(H,20,21)
InChIKeyKCAMWQPIDKKNJI-UHFFFAOYSA-N
MW323.72 g/mol
LogP4.12
Rot. Bonds2

About N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide

N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 114301247) has the molecular formula C14H14ClF4NO and a molecular weight of 323.72 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID114301247
Molecular FormulaC14H14ClF4NO
Molecular Weight323.72 g/mol
Exact Mass323.07
IUPAC NameN-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCCC1Cl)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H14ClF4NO/c15-10-6-1-2-7-11(10)20-13(21)8-4-3-5-9(12(8)16)14(17,18)19/h3-5,10-11H,1-2,6-7H2,(H,20,21)
InChIKeyKCAMWQPIDKKNJI-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.72
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide
CID 104956750
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 119611281
N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide
CID 114345275
N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79884450
2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide
CID 79884389
2-bromo-N-(2-chlorocyclohexyl)benzamide
CID 114301050
2-fluoro-N-(3-methylcyclobutyl)-3-(trifluoromethyl)benzamide
CID 113252168
N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide
CID 106366776
2,3-dichloro-N-(2-chlorocyclopentyl)benzamide
CID 106443948
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide
CID 125465080
3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
CID 154754631

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide (CID 114301247) is N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide is O=C(NC1CCCCC1Cl)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is KCAMWQPIDKKNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF4NO/c15-10-6-1-2-7-11(10)20-13(21)8-4-3-5-9(12(8)16)14(17,18)19/h3-5,10-11H,1-2,6-7H2,(H,20,21).
What are the key properties of N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide?
N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 323.72 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 114301247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).