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

C19H20F2N2O2 — CID 59168763

IUPAC1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20F2N2O2/c20-13-4-8-17(9-5-13)25-18-10-6-15(7-11-18)22-19(24)23-16-3-1-2-14(21)12-16/h1-5,8-9,12,15,18H,6-7,10-11H2,(H2,22,23,24)
InChIKeyBDUSHFOGEMXXCO-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.48
Rot. Bonds4

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

1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-fluorophenyl)urea (PubChem CID 59168763) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-fluorophenyl)urea
PubChem CID59168763
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20F2N2O2/c20-13-4-8-17(9-5-13)25-18-10-6-15(7-11-18)22-19(24)23-16-3-1-2-14(21)12-16/h1-5,8-9,12,15,18H,6-7,10-11H2,(H2,22,23,24)
InChIKeyBDUSHFOGEMXXCO-UHFFFAOYSA-N
XLogP4.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-fluorophenyl)urea (CID 59168763) is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-fluorophenyl)urea is O=C(Nc1cccc(F)c1)NC1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-fluorophenyl)urea?
The InChIKey is BDUSHFOGEMXXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-13-4-8-17(9-5-13)25-18-10-6-15(7-11-18)22-19(24)23-16-3-1-2-14(21)12-16/h1-5,8-9,12,15,18H,6-7,10-11H2,(H2,22,23,24).
What are the key properties of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-fluorophenyl)urea?
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-fluorophenyl)urea has a molecular weight of 346.38 g/mol, XLogP of 4.48, 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-(3-fluorophenyl)urea is sourced from PubChem (CID 59168763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).