1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea

C20H23FN2O2 — CID 11709895

IUPAC1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O2/c1-14-4-2-3-5-19(14)23-20(24)22-16-8-12-18(13-9-16)25-17-10-6-15(21)7-11-17/h2-7,10-11,16,18H,8-9,12-13H2,1H3,(H2,22,23,24)
InChIKeyKJJOIJFJBKSSTN-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.65
Rot. Bonds4

About 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea

1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea (PubChem CID 11709895) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea
PubChem CID11709895
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O2/c1-14-4-2-3-5-19(14)23-20(24)22-16-8-12-18(13-9-16)25-17-10-6-15(21)7-11-17/h2-7,10-11,16,18H,8-9,12-13H2,1H3,(H2,22,23,24)
InChIKeyKJJOIJFJBKSSTN-UHFFFAOYSA-N
XLogP4.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
CID 11610101
1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-fluorophenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 162127990
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea
CID 59168731
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea
CID 59168710
1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 158421344
1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea
CID 90634951
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 90634468
(2R)-2-(4-fluorophenoxy)-N-(2-methylphenyl)propanamide
CID 7946714
1-(azepan-3-yl)-3-(2-methylphenyl)urea
CID 117235751
1-(2-acetylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea;4-aminocyclohexan-1-ol;1,4-difluorobenzene;4-(4-fluorophenoxy)cyclohexan-1-amine;2-[[4-(4-fluorophenoxy)cyclohexyl]carbamoylamino]benzoic acid;methyl 2-isocyanatobenzoate
CID 158571704
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-naphthalen-1-ylurea
CID 90634481
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea (CID 11709895) is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NC1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea?
The InChIKey is KJJOIJFJBKSSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14-4-2-3-5-19(14)23-20(24)22-16-8-12-18(13-9-16)25-17-10-6-15(21)7-11-17/h2-7,10-11,16,18H,8-9,12-13H2,1H3,(H2,22,23,24).
What are the key properties of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea?
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea has a molecular weight of 342.41 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 11709895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).