[3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate

C21H20F4N2O3 — CID 71794320

IUPAC[3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)OC1CCCC(NC(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C21H20F4N2O3/c22-13-8-10-14(11-9-13)27-20(29)30-16-5-3-4-15(12-16)26-19(28)17-6-1-2-7-18(17)21(23,24)25/h1-2,6-11,15-16H,3-5,12H2,(H,26,28)(H,27,29)
InChIKeyMYEUCUCLMUZOEB-UHFFFAOYSA-N
MW424.39 g/mol
LogP5.13
Rot. Bonds4

About [3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate

[3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate (PubChem CID 71794320) has the molecular formula C21H20F4N2O3 and a molecular weight of 424.39 g/mol. Its IUPAC name is [3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name[3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate
PubChem CID71794320
Molecular FormulaC21H20F4N2O3
Molecular Weight424.39 g/mol
Exact Mass424.14
IUPAC Name[3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)OC1CCCC(NC(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C21H20F4N2O3/c22-13-8-10-14(11-9-13)27-20(29)30-16-5-3-4-15(12-16)26-19(28)17-6-1-2-7-18(17)21(23,24)25/h1-2,6-11,15-16H,3-5,12H2,(H,26,28)(H,27,29)
InChIKeyMYEUCUCLMUZOEB-UHFFFAOYSA-N
XLogP5.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.39
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate
CID 95985844
[(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate
CID 95985787
[(1R,3S)-3-[[(2S)-2-phenoxypropanoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate
CID 98766114
[3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate
CID 71794272
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide
CID 90633279
cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 127539075
N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555137
(3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate
CID 79458051
cyclopentyl 2-(trifluoromethyl)benzoate
CID 599391
[(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate
CID 95985789
(3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate
CID 79458052

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate?
The IUPAC name of [3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate (CID 71794320) is [3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate.
What is the SMILES notation for [3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate?
The canonical SMILES for [3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate is O=C(Nc1ccc(F)cc1)OC1CCCC(NC(=O)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of [3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate?
The InChIKey is MYEUCUCLMUZOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N2O3/c22-13-8-10-14(11-9-13)27-20(29)30-16-5-3-4-15(12-16)26-19(28)17-6-1-2-7-18(17)21(23,24)25/h1-2,6-11,15-16H,3-5,12H2,(H,26,28)(H,27,29).
What are the key properties of [3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate?
[3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate has a molecular weight of 424.39 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 71794320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).