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

C19H20ClFN2O2 — CID 11581328

IUPAC1-(4-chlorophenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20ClFN2O2/c20-13-1-5-15(6-2-13)22-19(24)23-16-7-11-18(12-8-16)25-17-9-3-14(21)4-10-17/h1-6,9-10,16,18H,7-8,11-12H2,(H2,22,23,24)
InChIKeyCLWMKYAGZBNMTM-UHFFFAOYSA-N
MW362.83 g/mol
LogP4.99
Rot. Bonds4

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

1-(4-chlorophenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea (PubChem CID 11581328) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
PubChem CID11581328
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name1-(4-chlorophenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20ClFN2O2/c20-13-1-5-15(6-2-13)22-19(24)23-16-7-11-18(12-8-16)25-17-9-3-14(21)4-10-17/h1-6,9-10,16,18H,7-8,11-12H2,(H2,22,23,24)
InChIKeyCLWMKYAGZBNMTM-UHFFFAOYSA-N
XLogP4.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea (CID 11581328) is 1-(4-chlorophenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea is O=C(Nc1ccc(Cl)cc1)NC1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea?
The InChIKey is CLWMKYAGZBNMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c20-13-1-5-15(6-2-13)22-19(24)23-16-7-11-18(12-8-16)25-17-9-3-14(21)4-10-17/h1-6,9-10,16,18H,7-8,11-12H2,(H2,22,23,24).
What are the key properties of 1-(4-chlorophenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea?
1-(4-chlorophenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea has a molecular weight of 362.83 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea is sourced from PubChem (CID 11581328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).