1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea

C17H19FN2O2 — CID 38148280

IUPAC1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1cccc(CNC(=O)N(C)Cc2ccccc2F)c1
InChIInChI=1S/C17H19FN2O2/c1-20(12-14-7-3-4-9-16(14)18)17(21)19-11-13-6-5-8-15(10-13)22-2/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyGROHEZYSVFMCOB-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.18
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea

1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea (PubChem CID 38148280) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
PubChem CID38148280
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1cccc(CNC(=O)N(C)Cc2ccccc2F)c1
InChIInChI=1S/C17H19FN2O2/c1-20(12-14-7-3-4-9-16(14)18)17(21)19-11-13-6-5-8-15(10-13)22-2/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyGROHEZYSVFMCOB-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea with MolForge

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

Launch Full Analysis

Related Compounds

3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86999385
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 9266277
3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 134006466
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea
CID 53185039
3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 27517905
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea
CID 86984495
3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 5177299
2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
CID 86992957
3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea
CID 60610815

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea (CID 38148280) is 1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea is COc1cccc(CNC(=O)N(C)Cc2ccccc2F)c1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea?
The InChIKey is GROHEZYSVFMCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-20(12-14-7-3-4-9-16(14)18)17(21)19-11-13-6-5-8-15(10-13)22-2/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea?
1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea has a molecular weight of 302.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 38148280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).