1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea

C14H17F3N2O3 — CID 75533935

IUPAC1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea
SMILESO=C(Nc1ccc(F)cc1OC(F)F)NC1CCC(O)CC1
InChIInChI=1S/C14H17F3N2O3/c15-8-1-6-11(12(7-8)22-13(16)17)19-14(21)18-9-2-4-10(20)5-3-9/h1,6-7,9-10,13,20H,2-5H2,(H2,18,19,21)
InChIKeyGIPHVUONJWGNMW-UHFFFAOYSA-N
MW318.29 g/mol
LogP2.85
Rot. Bonds4

About 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea

1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea (PubChem CID 75533935) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea
PubChem CID75533935
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC Name1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea
SMILESO=C(Nc1ccc(F)cc1OC(F)F)NC1CCC(O)CC1
InChIInChI=1S/C14H17F3N2O3/c15-8-1-6-11(12(7-8)22-13(16)17)19-14(21)18-9-2-4-10(20)5-3-9/h1,6-7,9-10,13,20H,2-5H2,(H2,18,19,21)
InChIKeyGIPHVUONJWGNMW-UHFFFAOYSA-N
XLogP2.85
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
CID 47202448
2-[[3-[[2-(difluoromethoxy)-4-fluorophenyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122085730
4-[2-(difluoromethoxy)-4-fluoroanilino]cyclohexane-1-carboxylic acid
CID 122029934
1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea
CID 75507899
3-[[2-(difluoromethoxy)-4-fluorophenyl]carbamoylamino]propanoic acid
CID 122085733
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890882
1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652927
N-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride
CID 119475467
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 122147106
1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95334266
5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide
CID 111744162
1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea
CID 110890850

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea (CID 75533935) is 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea is O=C(Nc1ccc(F)cc1OC(F)F)NC1CCC(O)CC1.
What is the InChIKey of 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea?
The InChIKey is GIPHVUONJWGNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-8-1-6-11(12(7-8)22-13(16)17)19-14(21)18-9-2-4-10(20)5-3-9/h1,6-7,9-10,13,20H,2-5H2,(H2,18,19,21).
What are the key properties of 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea?
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea has a molecular weight of 318.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 75533935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).