1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methoxyphenyl)urea

C20H23FN2O3 — CID 11574020

IUPAC1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O3/c1-25-19-5-3-2-4-18(19)23-20(24)22-15-8-12-17(13-9-15)26-16-10-6-14(21)7-11-16/h2-7,10-11,15,17H,8-9,12-13H2,1H3,(H2,22,23,24)
InChIKeyQXOPYDMZOGKDRQ-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.35
Rot. Bonds5

About 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methoxyphenyl)urea

1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methoxyphenyl)urea (PubChem CID 11574020) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methoxyphenyl)urea
PubChem CID11574020
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O3/c1-25-19-5-3-2-4-18(19)23-20(24)22-15-8-12-17(13-9-15)26-16-10-6-14(21)7-11-16/h2-7,10-11,15,17H,8-9,12-13H2,1H3,(H2,22,23,24)
InChIKeyQXOPYDMZOGKDRQ-UHFFFAOYSA-N
XLogP4.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methoxyphenyl)urea (CID 11574020) is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NC1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methoxyphenyl)urea?
The InChIKey is QXOPYDMZOGKDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-25-19-5-3-2-4-18(19)23-20(24)22-15-8-12-17(13-9-15)26-16-10-6-14(21)7-11-16/h2-7,10-11,15,17H,8-9,12-13H2,1H3,(H2,22,23,24).
What are the key properties of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methoxyphenyl)urea?
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methoxyphenyl)urea has a molecular weight of 358.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 11574020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).