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

C20H29FN2O2 — CID 11631634

IUPAC1-cycloheptyl-3-[4-(4-fluorophenoxy)cyclohexyl]urea
SMILESO=C(NC1CCCCCC1)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN2O2/c21-15-7-11-18(12-8-15)25-19-13-9-17(10-14-19)23-20(24)22-16-5-3-1-2-4-6-16/h7-8,11-12,16-17,19H,1-6,9-10,13-14H2,(H2,22,23,24)
InChIKeyWNISIKVIBUFTFM-UHFFFAOYSA-N
MW348.46 g/mol
LogP4.54
Rot. Bonds4

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

1-cycloheptyl-3-[4-(4-fluorophenoxy)cyclohexyl]urea (PubChem CID 11631634) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 1-cycloheptyl-3-[4-(4-fluorophenoxy)cyclohexyl]urea.

Molecular Properties

Compound Name1-cycloheptyl-3-[4-(4-fluorophenoxy)cyclohexyl]urea
PubChem CID11631634
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name1-cycloheptyl-3-[4-(4-fluorophenoxy)cyclohexyl]urea
SMILESO=C(NC1CCCCCC1)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN2O2/c21-15-7-11-18(12-8-15)25-19-13-9-17(10-14-19)23-20(24)22-16-5-3-1-2-4-6-16/h7-8,11-12,16-17,19H,1-6,9-10,13-14H2,(H2,22,23,24)
InChIKeyWNISIKVIBUFTFM-UHFFFAOYSA-N
XLogP4.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[4-(4-fluorophenoxy)cyclohexyl]urea?
The IUPAC name of 1-cycloheptyl-3-[4-(4-fluorophenoxy)cyclohexyl]urea (CID 11631634) is 1-cycloheptyl-3-[4-(4-fluorophenoxy)cyclohexyl]urea.
What is the SMILES notation for 1-cycloheptyl-3-[4-(4-fluorophenoxy)cyclohexyl]urea?
The canonical SMILES for 1-cycloheptyl-3-[4-(4-fluorophenoxy)cyclohexyl]urea is O=C(NC1CCCCCC1)NC1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-cycloheptyl-3-[4-(4-fluorophenoxy)cyclohexyl]urea?
The InChIKey is WNISIKVIBUFTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c21-15-7-11-18(12-8-15)25-19-13-9-17(10-14-19)23-20(24)22-16-5-3-1-2-4-6-16/h7-8,11-12,16-17,19H,1-6,9-10,13-14H2,(H2,22,23,24).
What are the key properties of 1-cycloheptyl-3-[4-(4-fluorophenoxy)cyclohexyl]urea?
1-cycloheptyl-3-[4-(4-fluorophenoxy)cyclohexyl]urea has a molecular weight of 348.46 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[4-(4-fluorophenoxy)cyclohexyl]urea is sourced from PubChem (CID 11631634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).