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

C21H25FN2O2 — CID 11610101

IUPAC1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
SMILESCc1cccc(C)c1NC(=O)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN2O2/c1-14-4-3-5-15(2)20(14)24-21(25)23-17-8-12-19(13-9-17)26-18-10-6-16(22)7-11-18/h3-7,10-11,17,19H,8-9,12-13H2,1-2H3,(H2,23,24,25)
InChIKeyNAQVTFNHEFCUNX-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.95
Rot. Bonds4

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

1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea (PubChem CID 11610101) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
PubChem CID11610101
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
SMILESCc1cccc(C)c1NC(=O)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN2O2/c1-14-4-3-5-15(2)20(14)24-21(25)23-17-8-12-19(13-9-17)26-18-10-6-16(22)7-11-18/h3-7,10-11,17,19H,8-9,12-13H2,1-2H3,(H2,23,24,25)
InChIKeyNAQVTFNHEFCUNX-UHFFFAOYSA-N
XLogP4.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea
CID 11709895
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea
CID 59168731
1-[4-[(2,6-difluorophenyl)methoxy]cyclohexyl]-3-(2,6-dimethylphenyl)urea
CID 59168591
1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-fluorophenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 162127990
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea
CID 59168710
2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186
1-(2,6-dimethylphenyl)-3-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 43813919
1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea
CID 126785956
1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 158421344
1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea
CID 90634951
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea (CID 11610101) is 1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea is Cc1cccc(C)c1NC(=O)NC1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea?
The InChIKey is NAQVTFNHEFCUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-14-4-3-5-15(2)20(14)24-21(25)23-17-8-12-19(13-9-17)26-18-10-6-16(22)7-11-18/h3-7,10-11,17,19H,8-9,12-13H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea?
1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea has a molecular weight of 356.44 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea is sourced from PubChem (CID 11610101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).