1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea

C12H15F3N2O — CID 115583935

IUPAC1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCN(CCc1ccccc1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-17(11(18)16-9-12(13,14)15)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,16,18)
InChIKeyIWROHCHVEHPDCU-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.43
Rot. Bonds4

About 1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea

1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115583935) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115583935
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCN(CCc1ccccc1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-17(11(18)16-9-12(13,14)15)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,16,18)
InChIKeyIWROHCHVEHPDCU-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)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-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
CID 71940977
2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid
CID 66166586
3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
CID 23220
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
1-(2-chloroethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 106441672
N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958322
3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea
CID 87007292
4-[methyl(2-phenylethyl)amino]-2,4-dioxobutanoic acid
CID 142214555
N,2-dimethyl-2-(methylamino)-N-(2-phenylethyl)propanamide
CID 62846352
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 47258233

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea (CID 115583935) is 1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea is CN(CCc1ccccc1)C(=O)NCC(F)(F)F.
What is the InChIKey of 1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is IWROHCHVEHPDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-17(11(18)16-9-12(13,14)15)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,16,18).
What are the key properties of 1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea?
1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 260.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115583935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).