1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea

C16H15F3N2O — CID 4101764

IUPAC1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(C)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3N2O/c1-10-6-7-11(2)14(8-10)21-15(22)20-13-5-3-4-12(9-13)16(17,18)19/h3-9H,1-2H3,(H2,20,21,22)
InChIKeyGLEMTLGJMRUDDC-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.97
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 4101764) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID4101764
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(C)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3N2O/c1-10-6-7-11(2)14(8-10)21-15(22)20-13-5-3-4-12(9-13)16(17,18)19/h3-9H,1-2H3,(H2,20,21,22)
InChIKeyGLEMTLGJMRUDDC-UHFFFAOYSA-N
XLogP4.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]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

1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109141616
1-[3-(tert-butylamino)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 146622176
3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid
CID 61193250
1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 170254167
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839629
1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 34064102
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4173499
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 4101764) is 1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea is Cc1ccc(C)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is GLEMTLGJMRUDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-10-6-7-11(2)14(8-10)21-15(22)20-13-5-3-4-12(9-13)16(17,18)19/h3-9H,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 308.30 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 4101764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).