1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea

C13H14F2N2O2 — CID 43652927

IUPAC1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea
SMILESO=C1CCC(NC(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H14F2N2O2/c14-8-1-6-12(11(15)7-8)17-13(19)16-9-2-4-10(18)5-3-9/h1,6-7,9H,2-5H2,(H2,16,17,19)
InChIKeyYWAPBGGTHWLANX-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.60
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea

1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea (PubChem CID 43652927) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea
PubChem CID43652927
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea
SMILESO=C1CCC(NC(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H14F2N2O2/c14-8-1-6-12(11(15)7-8)17-13(19)16-9-2-4-10(18)5-3-9/h1,6-7,9H,2-5H2,(H2,16,17,19)
InChIKeyYWAPBGGTHWLANX-UHFFFAOYSA-N
XLogP2.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 6928627
1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 47091282
1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea
CID 43596735
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
1-cyclopropyl-3-[6-(2,4-difluoroanilino)pyridazin-3-yl]urea
CID 113050539
1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 127228015
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea
CID 1379880
1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61314248
1-(2,4-difluorophenyl)-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970198
4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61182622

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea (CID 43652927) is 1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea is O=C1CCC(NC(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea?
The InChIKey is YWAPBGGTHWLANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c14-8-1-6-12(11(15)7-8)17-13(19)16-9-2-4-10(18)5-3-9/h1,6-7,9H,2-5H2,(H2,16,17,19).
What are the key properties of 1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea?
1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea has a molecular weight of 268.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea is sourced from PubChem (CID 43652927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).