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

C16H20F3NO3 — CID 31061522

IUPAC2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
SMILESCOc1cccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1OC
InChIInChI=1S/C16H20F3NO3/c1-22-13-8-4-7-12(14(13)23-2)15(21)20-11-6-3-5-10(9-11)16(17,18)19/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,20,21)/t10-,11+/m1/s1
InChIKeyXMNPJBUPLDGCGH-MNOVXSKESA-N
MW331.33 g/mol
LogP3.55
Rot. Bonds4

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

2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 31061522) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID31061522
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Name2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
SMILESCOc1cccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1OC
InChIInChI=1S/C16H20F3NO3/c1-22-13-8-4-7-12(14(13)23-2)15(21)20-11-6-3-5-10(9-11)16(17,18)19/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,20,21)/t10-,11+/m1/s1
InChIKeyXMNPJBUPLDGCGH-MNOVXSKESA-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

Analyze 2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 7120710
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 13053662
(2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105123623
N-cyclohexyl-2-ethoxy-3-methoxybenzamide
CID 2988102
2-hydroxy-3-methoxy-N-(3-methylcyclohexyl)benzamide
CID 43244115
2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236643
N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide
CID 93452159
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide
CID 24848457
2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide
CID 25475206

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide (CID 31061522) is 2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide is COc1cccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is XMNPJBUPLDGCGH-MNOVXSKESA-N. The full InChI is InChI=1S/C16H20F3NO3/c1-22-13-8-4-7-12(14(13)23-2)15(21)20-11-6-3-5-10(9-11)16(17,18)19/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,20,21)/t10-,11+/m1/s1.
What are the key properties of 2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide?
2,3-dimethoxy-N-[(1S,3R)-3-(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 2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 31061522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).