1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(2-methylphenyl)ethyl]urea

C18H21FN2O2 — CID 71810581

IUPAC1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(2-methylphenyl)ethyl]urea
SMILESCOC(CNC(=O)NCc1ccc(F)cc1)c1ccccc1C
InChIInChI=1S/C18H21FN2O2/c1-13-5-3-4-6-16(13)17(23-2)12-21-18(22)20-11-14-7-9-15(19)10-8-14/h3-10,17H,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyAMOVSBQOGAZHKH-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.32
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(2-methylphenyl)ethyl]urea

1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(2-methylphenyl)ethyl]urea (PubChem CID 71810581) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(2-methylphenyl)ethyl]urea
PubChem CID71810581
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(2-methylphenyl)ethyl]urea
SMILESCOC(CNC(=O)NCc1ccc(F)cc1)c1ccccc1C
InChIInChI=1S/C18H21FN2O2/c1-13-5-3-4-6-16(13)17(23-2)12-21-18(22)20-11-14-7-9-15(19)10-8-14/h3-10,17H,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyAMOVSBQOGAZHKH-UHFFFAOYSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(2-methylphenyl)ethyl]urea (CID 71810581) is 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(2-methylphenyl)ethyl]urea is COC(CNC(=O)NCc1ccc(F)cc1)c1ccccc1C.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(2-methylphenyl)ethyl]urea?
The InChIKey is AMOVSBQOGAZHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13-5-3-4-6-16(13)17(23-2)12-21-18(22)20-11-14-7-9-15(19)10-8-14/h3-10,17H,11-12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(2-methylphenyl)ethyl]urea?
1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(2-methylphenyl)ethyl]urea has a molecular weight of 316.38 g/mol, XLogP of 3.32, 6 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-[2-methoxy-2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 71810581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).