3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide

C16H20F3NO3 — CID 35232205

IUPAC3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc1OC
InChIInChI=1S/C16H20F3NO3/c1-22-13-8-7-10(9-14(13)23-2)15(21)20-12-6-4-3-5-11(12)16(17,18)19/h7-9,11-12H,3-6H2,1-2H3,(H,20,21)/t11-,12-/m1/s1
InChIKeyBMWLVMKCHRBALT-VXGBXAGGSA-N
MW331.33 g/mol
LogP3.55
Rot. Bonds4

About 3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide

3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 35232205) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID35232205
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Name3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc1OC
InChIInChI=1S/C16H20F3NO3/c1-22-13-8-7-10(9-14(13)23-2)15(21)20-12-6-4-3-5-11(12)16(17,18)19/h7-9,11-12H,3-6H2,1-2H3,(H,20,21)/t11-,12-/m1/s1
InChIKeyBMWLVMKCHRBALT-VXGBXAGGSA-N
XLogP3.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55534166
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169
5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 25497376
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43712748
3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 43046784
3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43046830
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 63188254
6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 52501616
2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 103754162

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide (CID 35232205) is 3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide is COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is BMWLVMKCHRBALT-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H20F3NO3/c1-22-13-8-7-10(9-14(13)23-2)15(21)20-12-6-4-3-5-11(12)16(17,18)19/h7-9,11-12H,3-6H2,1-2H3,(H,20,21)/t11-,12-/m1/s1.
What are the key properties of 3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide?
3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 331.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 35232205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).