N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide

C15H17ClF3NO — CID 106366776

IUPACN-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCCC1CCl)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H17ClF3NO/c16-9-10-5-1-4-8-13(10)20-14(21)11-6-2-3-7-12(11)15(17,18)19/h2-3,6-7,10,13H,1,4-5,8-9H2,(H,20,21)
InChIKeyIZJUMRFQRSIQNA-UHFFFAOYSA-N
MW319.75 g/mol
LogP4.23
Rot. Bonds3

About N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide

N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide (PubChem CID 106366776) has the molecular formula C15H17ClF3NO and a molecular weight of 319.75 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide
PubChem CID106366776
Molecular FormulaC15H17ClF3NO
Molecular Weight319.75 g/mol
Exact Mass319.10
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCCC1CCl)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H17ClF3NO/c16-9-10-5-1-4-8-13(10)20-14(21)11-6-2-3-7-12(11)15(17,18)19/h2-3,6-7,10,13H,1,4-5,8-9H2,(H,20,21)
InChIKeyIZJUMRFQRSIQNA-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 54.23
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

N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide
CID 125465080
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 119611281
cis-methyl (1R,2S)-2-[[2-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylate
CID 97029827
N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide
CID 106366835
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide
CID 110125899
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide
CID 114179397
N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 114301247
N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide
CID 106366865
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide
CID 114179613

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide (CID 106366776) is N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide is O=C(NC1CCCCC1CCl)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide?
The InChIKey is IZJUMRFQRSIQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3NO/c16-9-10-5-1-4-8-13(10)20-14(21)11-6-2-3-7-12(11)15(17,18)19/h2-3,6-7,10,13H,1,4-5,8-9H2,(H,20,21).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide?
N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide has a molecular weight of 319.75 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 106366776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).