3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide

C17H22F3NO4 — CID 7120710

IUPAC3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc(OC)c1OC
InChIInChI=1S/C17H22F3NO4/c1-23-13-7-10(8-14(24-2)15(13)25-3)16(22)21-12-6-4-5-11(9-12)17(18,19)20/h7-8,11-12H,4-6,9H2,1-3H3,(H,21,22)/t11-,12-/m1/s1
InChIKeyYGDHXJIUOOGWBP-VXGBXAGGSA-N
MW361.36 g/mol
LogP3.56
Rot. Bonds5

About 3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide

3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 7120710) has the molecular formula C17H22F3NO4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID7120710
Molecular FormulaC17H22F3NO4
Molecular Weight361.36 g/mol
Exact Mass361.15
IUPAC Name3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc(OC)c1OC
InChIInChI=1S/C17H22F3NO4/c1-23-13-7-10(8-14(24-2)15(13)25-3)16(22)21-12-6-4-5-11(9-12)17(18,19)20/h7-8,11-12H,4-6,9H2,1-3H3,(H,21,22)/t11-,12-/m1/s1
InChIKeyYGDHXJIUOOGWBP-VXGBXAGGSA-N
XLogP3.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 31061522
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108549268
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18147803
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 97185005
4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide
CID 99783439
2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 24621472
3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 97006085
5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 124702553

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide (CID 7120710) is 3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide is COc1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is YGDHXJIUOOGWBP-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H22F3NO4/c1-23-13-7-10(8-14(24-2)15(13)25-3)16(22)21-12-6-4-5-11(9-12)17(18,19)20/h7-8,11-12H,4-6,9H2,1-3H3,(H,21,22)/t11-,12-/m1/s1.
What are the key properties of 3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide?
3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 361.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 7120710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).