1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-phenylpropyl)urea

C22H27FN2O2 — CID 59168663

IUPAC1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O2/c23-18-8-12-20(13-9-18)27-21-14-10-19(11-15-21)25-22(26)24-16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,12-13,19,21H,4,7,10-11,14-16H2,(H2,24,25,26)
InChIKeyGQEVRCHACSDYLE-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.45
Rot. Bonds7

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

1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-phenylpropyl)urea (PubChem CID 59168663) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-phenylpropyl)urea
PubChem CID59168663
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O2/c23-18-8-12-20(13-9-18)27-21-14-10-19(11-15-21)25-22(26)24-16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,12-13,19,21H,4,7,10-11,14-16H2,(H2,24,25,26)
InChIKeyGQEVRCHACSDYLE-UHFFFAOYSA-N
XLogP4.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2,6-Difluorophenyl)methoxy]cyclohexyl]-3-(3-phenylpropyl)urea
CID 59168604
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-(1-Adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea
CID 11603817
1-Cycloheptyl-3-[4-(4-fluoro-phenoxy)-cyclohexyl]-urea
CID 11631634
1-Adamantan-1-yl-3-[4-(4-fluorophenoxy)butyl]urea
CID 16756389
4-Phenoxy-N-[(1s,2r)-2-Phenylcyclopropyl]piperidine-1-Carboxamide
CID 76325076
cis-1-Adamantan-1-yl-3-[4-(2,6-difluoro-4-isopropoxybenzyloxy)cyclohexyl]urea
CID 11641460
3-(4-fluorophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 12807454
3-(3-fluorophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 12807471
{1-[2-(4-Benzyl-phenoxy)-ethyl]-piperidin-4-yl}-urea
CID 18678310
1-Cyclooctyl-3-[4-(4-fluorophenoxy)cyclohexyl]urea
CID 59168700

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-phenylpropyl)urea (CID 59168663) is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)NC1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-phenylpropyl)urea?
The InChIKey is GQEVRCHACSDYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c23-18-8-12-20(13-9-18)27-21-14-10-19(11-15-21)25-22(26)24-16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,12-13,19,21H,4,7,10-11,14-16H2,(H2,24,25,26).
What are the key properties of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-phenylpropyl)urea?
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-phenylpropyl)urea has a molecular weight of 370.47 g/mol, XLogP of 4.45, 7 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-(3-phenylpropyl)urea is sourced from PubChem (CID 59168663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).