5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide

C15H17ClF3NO2 — CID 25497376

IUPAC5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C15H17ClF3NO2/c1-22-13-7-6-9(16)8-10(13)14(21)20-12-5-3-2-4-11(12)15(17,18)19/h6-8,11-12H,2-5H2,1H3,(H,20,21)/t11-,12-/m1/s1
InChIKeyASUALTOORFMYAL-VXGBXAGGSA-N
MW335.75 g/mol
LogP4.20
Rot. Bonds3

About 5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide

5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 25497376) has the molecular formula C15H17ClF3NO2 and a molecular weight of 335.75 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID25497376
Molecular FormulaC15H17ClF3NO2
Molecular Weight335.75 g/mol
Exact Mass335.09
IUPAC Name5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C15H17ClF3NO2/c1-22-13-7-6-9(16)8-10(13)14(21)20-12-5-3-2-4-11(12)15(17,18)19/h6-8,11-12H,2-5H2,1H3,(H,20,21)/t11-,12-/m1/s1
InChIKeyASUALTOORFMYAL-VXGBXAGGSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 35232205
5-chloro-N-[(1R,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-2-methoxybenzamide
CID 87983811
2-fluoro-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 79765205
N-(2-aminocyclopropyl)-5-chloro-2-methoxybenzamide
CID 43593837
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 60957296
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55534166
2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813698
1-[(5-chloro-2-methoxybenzoyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8728831
1-[(5-chloro-2-methoxybenzoyl)amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8728826
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide (CID 25497376) is 5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide is COc1ccc(Cl)cc1C(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F.
What is the InChIKey of 5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is ASUALTOORFMYAL-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H17ClF3NO2/c1-22-13-7-6-9(16)8-10(13)14(21)20-12-5-3-2-4-11(12)15(17,18)19/h6-8,11-12H,2-5H2,1H3,(H,20,21)/t11-,12-/m1/s1.
What are the key properties of 5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide?
5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 335.75 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 25497376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).