1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea

C15H20F2N2O3 — CID 134039305

IUPAC1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
SMILESCOc1ccc(NC(=O)NC2CCCCC2)cc1OC(F)F
InChIInChI=1S/C15H20F2N2O3/c1-21-12-8-7-11(9-13(12)22-14(16)17)19-15(20)18-10-5-3-2-4-6-10/h7-10,14H,2-6H2,1H3,(H2,18,19,20)
InChIKeyIMJFOQCRYGEOKM-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.75
Rot. Bonds5

About 1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea

1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea (PubChem CID 134039305) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
PubChem CID134039305
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
SMILESCOc1ccc(NC(=O)NC2CCCCC2)cc1OC(F)F
InChIInChI=1S/C15H20F2N2O3/c1-21-12-8-7-11(9-13(12)22-14(16)17)19-15(20)18-10-5-3-2-4-6-10/h7-10,14H,2-6H2,1H3,(H2,18,19,20)
InChIKeyIMJFOQCRYGEOKM-UHFFFAOYSA-N
XLogP3.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947
1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 112825817
N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652338
1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
CID 115617939
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
1-(cyclohexylcarbamothioylamino)-3-(3,4-dimethoxyphenyl)urea
CID 1295411
2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 112999302
1-tert-butyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 78842481
1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea
CID 60612121
(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 103794468
cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465635
cis-(1S,2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465638

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea (CID 134039305) is 1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea is COc1ccc(NC(=O)NC2CCCCC2)cc1OC(F)F.
What is the InChIKey of 1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea?
The InChIKey is IMJFOQCRYGEOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-21-12-8-7-11(9-13(12)22-14(16)17)19-15(20)18-10-5-3-2-4-6-10/h7-10,14H,2-6H2,1H3,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea?
1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea has a molecular weight of 314.33 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea is sourced from PubChem (CID 134039305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).