1-[2-(3-fluorophenyl)ethyl]-3-(2-phenyloxan-4-yl)urea

C20H23FN2O2 — CID 86793249

IUPAC1-[2-(3-fluorophenyl)ethyl]-3-(2-phenyloxan-4-yl)urea
SMILESO=C(NCCc1cccc(F)c1)NC1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H23FN2O2/c21-17-8-4-5-15(13-17)9-11-22-20(24)23-18-10-12-25-19(14-18)16-6-2-1-3-7-16/h1-8,13,18-19H,9-12,14H2,(H2,22,23,24)
InChIKeyVMXSZGUJEUGFNL-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.59
Rot. Bonds5

About 1-[2-(3-fluorophenyl)ethyl]-3-(2-phenyloxan-4-yl)urea

1-[2-(3-fluorophenyl)ethyl]-3-(2-phenyloxan-4-yl)urea (PubChem CID 86793249) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3-(2-phenyloxan-4-yl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3-(2-phenyloxan-4-yl)urea
PubChem CID86793249
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3-(2-phenyloxan-4-yl)urea
SMILESO=C(NCCc1cccc(F)c1)NC1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H23FN2O2/c21-17-8-4-5-15(13-17)9-11-22-20(24)23-18-10-12-25-19(14-18)16-6-2-1-3-7-16/h1-8,13,18-19H,9-12,14H2,(H2,22,23,24)
InChIKeyVMXSZGUJEUGFNL-UHFFFAOYSA-N
XLogP3.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(2-phenyloxan-4-yl)urea?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(2-phenyloxan-4-yl)urea (CID 86793249) is 1-[2-(3-fluorophenyl)ethyl]-3-(2-phenyloxan-4-yl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3-(2-phenyloxan-4-yl)urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3-(2-phenyloxan-4-yl)urea is O=C(NCCc1cccc(F)c1)NC1CCOC(c2ccccc2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3-(2-phenyloxan-4-yl)urea?
The InChIKey is VMXSZGUJEUGFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-17-8-4-5-15(13-17)9-11-22-20(24)23-18-10-12-25-19(14-18)16-6-2-1-3-7-16/h1-8,13,18-19H,9-12,14H2,(H2,22,23,24).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3-(2-phenyloxan-4-yl)urea?
1-[2-(3-fluorophenyl)ethyl]-3-(2-phenyloxan-4-yl)urea has a molecular weight of 342.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-3-(2-phenyloxan-4-yl)urea is sourced from PubChem (CID 86793249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).