3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea

C16H16F2N2O — CID 86988105

IUPAC3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CN(C)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H16F2N2O/c1-11-5-3-4-6-12(11)10-20(2)16(21)19-15-8-13(17)7-14(18)9-15/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyDKWXLJSHGXNPDZ-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.94
Rot. Bonds3

About 3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea

3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea (PubChem CID 86988105) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
PubChem CID86988105
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CN(C)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H16F2N2O/c1-11-5-3-4-6-12(11)10-20(2)16(21)19-15-8-13(17)7-14(18)9-15/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyDKWXLJSHGXNPDZ-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)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

Related Compounds

N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86987874
1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
CID 78871918
3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 24528577
1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
CID 23563161
1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea
CID 112825322
3-(3-chloro-4-methylphenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
CID 2476713
1-methyl-1-[(2-methylphenyl)methyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]urea
CID 86987903
3-[(3,5-difluorophenyl)carbamoyl-methylamino]propanoic acid
CID 61189569
4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103829572
3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
CID 24528585
3-(6-methoxypyrimidin-4-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 84601056
1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea
CID 86916303

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
The IUPAC name of 3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea (CID 86988105) is 3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea is Cc1ccccc1CN(C)C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
The InChIKey is DKWXLJSHGXNPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-11-5-3-4-6-12(11)10-20(2)16(21)19-15-8-13(17)7-14(18)9-15/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea has a molecular weight of 290.31 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 86988105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).