1-(1-adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea

C23H30F2N2O2 — CID 11603817

IUPAC1-(1-adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea
SMILESO=C(NC1CCC(Oc2cc(F)cc(F)c2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H30F2N2O2/c24-17-8-18(25)10-21(9-17)29-20-3-1-19(2-4-20)26-22(28)27-23-11-14-5-15(12-23)7-16(6-14)13-23/h8-10,14-16,19-20H,1-7,11-13H2,(H2,26,27,28)
InChIKeyCHXBPRRBJHZMOP-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.92
Rot. Bonds4

About 1-(1-adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea

1-(1-adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea (PubChem CID 11603817) has the molecular formula C23H30F2N2O2 and a molecular weight of 404.50 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea
PubChem CID11603817
Molecular FormulaC23H30F2N2O2
Molecular Weight404.50 g/mol
Exact Mass404.23
IUPAC Name1-(1-adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea
SMILESO=C(NC1CCC(Oc2cc(F)cc(F)c2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H30F2N2O2/c24-17-8-18(25)10-21(9-17)29-20-3-1-19(2-4-20)26-22(28)27-23-11-14-5-15(12-23)7-16(6-14)13-23/h8-10,14-16,19-20H,1-7,11-13H2,(H2,26,27,28)
InChIKeyCHXBPRRBJHZMOP-UHFFFAOYSA-N
XLogP4.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Adamantan-1-yl-3-[4-(2,6-difluoro-benzyloxy)-cyclohexyl]-urea
CID 11546213
cis-1-Adamantan-1-yl-3-[4-(4-methoxyphenoxy)cyclohexyl]-urea
CID 11553060
1-(1-Adamantyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
CID 11596176
1-Cycloheptyl-3-[4-(4-fluoro-phenoxy)-cyclohexyl]-urea
CID 11631634
1-Adamantan-1-yl-3-[4-(4-fluorophenoxy)butyl]urea
CID 16756389
1-(1-Adamantyl)-3-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]urea
CID 118719463
1-Adamantan-1-yl-3-(5-{2-[2-(4-ethylphenoxy)ethoxy]ethoxy}pentyl)urea
CID 11532957
cis-1-Adamantan-1-yl-3-[4-(2,6-difluoro-4-isopropoxybenzyloxy)cyclohexyl]urea
CID 11641460
cis-1-Adamantan-1-yl-3-[4-(4-bromophenoxy)cyclohexyl]urea
CID 16756171
1-[4-(4-Fluorophenoxy)cyclohexyl]-3-(3-phenylpropyl)urea
CID 59168663
1-Cyclooctyl-3-[4-(4-fluorophenoxy)cyclohexyl]urea
CID 59168700
cis-2-adamantan-1-yl-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide
CID 16756387

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea (CID 11603817) is 1-(1-adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea is O=C(NC1CCC(Oc2cc(F)cc(F)c2)CC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea?
The InChIKey is CHXBPRRBJHZMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N2O2/c24-17-8-18(25)10-21(9-17)29-20-3-1-19(2-4-20)26-22(28)27-23-11-14-5-15(12-23)7-16(6-14)13-23/h8-10,14-16,19-20H,1-7,11-13H2,(H2,26,27,28).
What are the key properties of 1-(1-adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea?
1-(1-adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea has a molecular weight of 404.50 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea is sourced from PubChem (CID 11603817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).