1-(3-fluoropropyl)-3-(2-phenyloxan-4-yl)urea

C15H21FN2O2 — CID 75508095

IUPAC1-(3-fluoropropyl)-3-(2-phenyloxan-4-yl)urea
SMILESO=C(NCCCF)NC1CCOC(c2ccccc2)C1
InChIInChI=1S/C15H21FN2O2/c16-8-4-9-17-15(19)18-13-7-10-20-14(11-13)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H2,17,18,19)
InChIKeyIKCBLHXLUCCDEJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.57
Rot. Bonds5

About 1-(3-fluoropropyl)-3-(2-phenyloxan-4-yl)urea

1-(3-fluoropropyl)-3-(2-phenyloxan-4-yl)urea (PubChem CID 75508095) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-(2-phenyloxan-4-yl)urea.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-(2-phenyloxan-4-yl)urea
PubChem CID75508095
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(3-fluoropropyl)-3-(2-phenyloxan-4-yl)urea
SMILESO=C(NCCCF)NC1CCOC(c2ccccc2)C1
InChIInChI=1S/C15H21FN2O2/c16-8-4-9-17-15(19)18-13-7-10-20-14(11-13)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H2,17,18,19)
InChIKeyIKCBLHXLUCCDEJ-UHFFFAOYSA-N
XLogP2.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-fluoropropyl)-3-(2-phenyloxan-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3-(2-phenyloxan-4-yl)urea?
The IUPAC name of 1-(3-fluoropropyl)-3-(2-phenyloxan-4-yl)urea (CID 75508095) is 1-(3-fluoropropyl)-3-(2-phenyloxan-4-yl)urea.
What is the SMILES notation for 1-(3-fluoropropyl)-3-(2-phenyloxan-4-yl)urea?
The canonical SMILES for 1-(3-fluoropropyl)-3-(2-phenyloxan-4-yl)urea is O=C(NCCCF)NC1CCOC(c2ccccc2)C1.
What is the InChIKey of 1-(3-fluoropropyl)-3-(2-phenyloxan-4-yl)urea?
The InChIKey is IKCBLHXLUCCDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-8-4-9-17-15(19)18-13-7-10-20-14(11-13)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H2,17,18,19).
What are the key properties of 1-(3-fluoropropyl)-3-(2-phenyloxan-4-yl)urea?
1-(3-fluoropropyl)-3-(2-phenyloxan-4-yl)urea has a molecular weight of 280.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-(2-phenyloxan-4-yl)urea is sourced from PubChem (CID 75508095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).