1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea

C22H26F2N2O2 — CID 59168591

IUPAC1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NC1CCC(OCc2c(F)cccc2F)CC1
InChIInChI=1S/C22H26F2N2O2/c1-14-5-3-6-15(2)21(14)26-22(27)25-16-9-11-17(12-10-16)28-13-18-19(23)7-4-8-20(18)24/h3-8,16-17H,9-13H2,1-2H3,(H2,25,26,27)
InChIKeyWLZMEMRLKHKVFR-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.23
Rot. Bonds5

About 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea

1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea (PubChem CID 59168591) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea
PubChem CID59168591
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NC1CCC(OCc2c(F)cccc2F)CC1
InChIInChI=1S/C22H26F2N2O2/c1-14-5-3-6-15(2)21(14)26-22(27)25-16-9-11-17(12-10-16)28-13-18-19(23)7-4-8-20(18)24/h3-8,16-17H,9-13H2,1-2H3,(H2,25,26,27)
InChIKeyWLZMEMRLKHKVFR-UHFFFAOYSA-N
XLogP5.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(3-iodophenyl)urea
CID 59168750
1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
CID 11610101
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea
CID 126785956
2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
1-cycloheptyl-3-(2,6-difluorophenyl)urea
CID 47132653
1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea
CID 124886303
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61184202
ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 108896619

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea (CID 59168591) is 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)NC1CCC(OCc2c(F)cccc2F)CC1.
What is the InChIKey of 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea?
The InChIKey is WLZMEMRLKHKVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-14-5-3-6-15(2)21(14)26-22(27)25-16-9-11-17(12-10-16)28-13-18-19(23)7-4-8-20(18)24/h3-8,16-17H,9-13H2,1-2H3,(H2,25,26,27).
What are the key properties of 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea?
1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea has a molecular weight of 388.46 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 59168591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).