1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea

C15H13F3N2O — CID 24664813

IUPAC1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea
SMILESCN(Cc1ccc(F)cc1F)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H13F3N2O/c1-20(9-10-6-7-11(16)8-13(10)18)15(21)19-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3,(H,19,21)
InChIKeyOQKUOAUIIYBWRR-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.77
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea

1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea (PubChem CID 24664813) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea
PubChem CID24664813
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea
SMILESCN(Cc1ccc(F)cc1F)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H13F3N2O/c1-20(9-10-6-7-11(16)8-13(10)18)15(21)19-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3,(H,19,21)
InChIKeyOQKUOAUIIYBWRR-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-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-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 46457495
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
CID 32528960
3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749466
N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62649068
1-[(4-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 47278857
3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea
CID 62334084
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
N-[(2,4-difluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 134046590
1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 3285154

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea (CID 24664813) is 1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea is CN(Cc1ccc(F)cc1F)C(=O)Nc1ccccc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea?
The InChIKey is OQKUOAUIIYBWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-20(9-10-6-7-11(16)8-13(10)18)15(21)19-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea?
1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea has a molecular weight of 294.28 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea is sourced from PubChem (CID 24664813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).