2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide

C16H20F3NO2 — CID 36813059

IUPAC2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO2/c1-22-12-8-6-11(7-9-12)10-15(21)20-14-5-3-2-4-13(14)16(17,18)19/h6-9,13-14H,2-5,10H2,1H3,(H,20,21)/t13-,14-/m1/s1
InChIKeyAYCIWEZHMKEEEM-ZIAGYGMSSA-N
MW315.33 g/mol
LogP3.47
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide

2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 36813059) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID36813059
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO2/c1-22-12-8-6-11(7-9-12)10-15(21)20-14-5-3-2-4-13(14)16(17,18)19/h6-9,13-14H,2-5,10H2,1H3,(H,20,21)/t13-,14-/m1/s1
InChIKeyAYCIWEZHMKEEEM-ZIAGYGMSSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 25494679
3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 43046784
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556131
2-(4-methoxyphenoxy)-N-[(1R,2R)-2-[[2-(4-methoxyphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1015196
N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide
CID 965816
1-(4-methoxyphenyl)-2,5-dimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pyrrole-3-carboxamide
CID 35245114
N-[(3R,4R)-4-chloro-1,1-dioxothiolan-3-yl]-2-(4-methoxyphenyl)acetamide
CID 41111404
N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide
CID 63257730
5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol
CID 61263630
1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-[[2-(4-methoxyphenyl)acetyl]amino]thiourea
CID 11946203
(4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8557325

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide (CID 36813059) is 2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide is COc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is AYCIWEZHMKEEEM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-22-12-8-6-11(7-9-12)10-15(21)20-14-5-3-2-4-13(14)16(17,18)19/h6-9,13-14H,2-5,10H2,1H3,(H,20,21)/t13-,14-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide?
2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 315.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 36813059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).