1-[(4-fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]urea

C15H21FN2O2 — CID 110875703

IUPAC1-[(4-fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]urea
SMILESCC1(CNC(=O)NCc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C15H21FN2O2/c1-15(6-8-20-9-7-15)11-18-14(19)17-10-12-2-4-13(16)5-3-12/h2-5H,6-11H2,1H3,(H2,17,18,19)
InChIKeyDMDVPRKOGSWWGU-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.44
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]urea

1-[(4-fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]urea (PubChem CID 110875703) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]urea
PubChem CID110875703
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]urea
SMILESCC1(CNC(=O)NCc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C15H21FN2O2/c1-15(6-8-20-9-7-15)11-18-14(19)17-10-12-2-4-13(16)5-3-12/h2-5H,6-11H2,1H3,(H2,17,18,19)
InChIKeyDMDVPRKOGSWWGU-UHFFFAOYSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]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-[(4-fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]urea (CID 110875703) is 1-[(4-fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]urea is CC1(CNC(=O)NCc2ccc(F)cc2)CCOCC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]urea?
The InChIKey is DMDVPRKOGSWWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-15(6-8-20-9-7-15)11-18-14(19)17-10-12-2-4-13(16)5-3-12/h2-5H,6-11H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]urea?
1-[(4-fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]urea has a molecular weight of 280.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(4-methyloxan-4-yl)methyl]urea is sourced from PubChem (CID 110875703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).