1-(2-cyclohexyl-2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]urea

C16H21F3N2O2 — CID 56764377

IUPAC1-(2-cyclohexyl-2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(O)C1CCCCC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)12-7-4-8-13(9-12)21-15(23)20-10-14(22)11-5-2-1-3-6-11/h4,7-9,11,14,22H,1-3,5-6,10H2,(H2,20,21,23)
InChIKeyJYMATVAGHUAGFN-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.77
Rot. Bonds4

About 1-(2-cyclohexyl-2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(2-cyclohexyl-2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 56764377) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-(2-cyclohexyl-2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexyl-2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID56764377
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name1-(2-cyclohexyl-2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(O)C1CCCCC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)12-7-4-8-13(9-12)21-15(23)20-10-14(22)11-5-2-1-3-6-11/h4,7-9,11,14,22H,1-3,5-6,10H2,(H2,20,21,23)
InChIKeyJYMATVAGHUAGFN-UHFFFAOYSA-N
XLogP3.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Hydroxycyclohexyl)-3-(naphthalen-1-yl)urea
CID 3700152
Urea, N-(2-chloroethyl)-N'-[3-(5-hydroxypentyl)phenyl]-
CID 11616185
N-(2-Chloroethyl)-N'-[3-(6-hydroxyhexyl)phenyl]urea
CID 45268968
N-(2-Chloroethyl)-N'-[3-(4-hydroxybutyl)phenyl]urea
CID 45272381
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(2-oxotetrahydropyrimidin-1(2H)-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide
CID 49862343
1-Benzyl-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 4586304
1-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 76325790
N-(trans-4-hydroxycyclohexyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 60765046
Urea, 1-(alpha-(hydroxymethyl)phenethyl)-3-phenyl-
CID 208999
N-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxamide
CID 678764
1-(4-Fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 2812618
1-(2-Hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-cyclohexyl-2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 56764377) is 1-(2-cyclohexyl-2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-cyclohexyl-2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-cyclohexyl-2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(NCC(O)C1CCCCC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-cyclohexyl-2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is JYMATVAGHUAGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c17-16(18,19)12-7-4-8-13(9-12)21-15(23)20-10-14(22)11-5-2-1-3-6-11/h4,7-9,11,14,22H,1-3,5-6,10H2,(H2,20,21,23).
What are the key properties of 1-(2-cyclohexyl-2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(2-cyclohexyl-2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 330.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 56764377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).