1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea

C16H21F3N2O3 — CID 42956451

IUPAC1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea
SMILESCOc1ccccc1NC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C16H21F3N2O3/c1-23-14-8-3-2-7-13(14)21-15(22)20-11-5-4-6-12(9-11)24-10-16(17,18)19/h2-3,7-8,11-12H,4-6,9-10H2,1H3,(H2,20,21,22)
InChIKeyYUOFOJGYDLYARK-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.71
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea

1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea (PubChem CID 42956451) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea
PubChem CID42956451
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea
SMILESCOc1ccccc1NC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C16H21F3N2O3/c1-23-14-8-3-2-7-13(14)21-15(22)20-11-5-4-6-12(9-11)24-10-16(17,18)19/h2-3,7-8,11-12H,4-6,9-10H2,1H3,(H2,20,21,22)
InChIKeyYUOFOJGYDLYARK-UHFFFAOYSA-N
XLogP3.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-3-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]urea
CID 38885386
[3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate
CID 71794297
2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43698425
1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea
CID 3446591
1-[(1S,5S)-9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 98110338
1-[(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(2-methoxyphenyl)urea
CID 98110150
2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 63681193
1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 47031918
1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea
CID 63251747
2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073452
1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea
CID 55100972
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea (CID 42956451) is 1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea is COc1ccccc1NC(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea?
The InChIKey is YUOFOJGYDLYARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-23-14-8-3-2-7-13(14)21-15(22)20-11-5-4-6-12(9-11)24-10-16(17,18)19/h2-3,7-8,11-12H,4-6,9-10H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea?
1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea has a molecular weight of 346.35 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea is sourced from PubChem (CID 42956451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).