1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea

C16H20F2N2O2 — CID 111422308

IUPAC1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea
SMILESO=C(NC1CCC(O)CC1)NC1CC1c1c(F)cccc1F
InChIInChI=1S/C16H20F2N2O2/c17-12-2-1-3-13(18)15(12)11-8-14(11)20-16(22)19-9-4-6-10(21)7-5-9/h1-3,9-11,14,21H,4-8H2,(H2,19,20,22)
InChIKeyWVELJRFRTOMIJM-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.42
Rot. Bonds3

About 1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea

1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea (PubChem CID 111422308) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea
PubChem CID111422308
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea
SMILESO=C(NC1CCC(O)CC1)NC1CC1c1c(F)cccc1F
InChIInChI=1S/C16H20F2N2O2/c17-12-2-1-3-13(18)15(12)11-8-14(11)20-16(22)19-9-4-6-10(21)7-5-9/h1-3,9-11,14,21H,4-8H2,(H2,19,20,22)
InChIKeyWVELJRFRTOMIJM-UHFFFAOYSA-N
XLogP2.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide
CID 119135603
1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea
CID 97077156
9-amino-N-[2-(2,6-difluorophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990096
1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine
CID 122082415
1-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 98848171
1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea
CID 128682857
3-fluoro-2-hydrazinyl-N-(4-hydroxycyclohexyl)benzamide
CID 62660970
1-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide
CID 119147959
cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319586
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890882
1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(1,1-dioxothiolan-3-yl)-2-methylguanidine
CID 111792282
3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide
CID 71986245

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea (CID 111422308) is 1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea is O=C(NC1CCC(O)CC1)NC1CC1c1c(F)cccc1F.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea?
The InChIKey is WVELJRFRTOMIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c17-12-2-1-3-13(18)15(12)11-8-14(11)20-16(22)19-9-4-6-10(21)7-5-9/h1-3,9-11,14,21H,4-8H2,(H2,19,20,22).
What are the key properties of 1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea?
1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea has a molecular weight of 310.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 111422308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).