1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea

C25H23F3N2O — CID 6173194

IUPAC1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESC/C(=C\c1ccccc1)CN(Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H23F3N2O/c1-19(15-20-9-4-2-5-10-20)17-30(18-21-11-6-3-7-12-21)24(31)29-23-14-8-13-22(16-23)25(26,27)28/h2-16H,17-18H2,1H3,(H,29,31)/b19-15+
InChIKeyLCQYAGJCPYRSOO-XDJHFCHBSA-N
MW424.47 g/mol
LogP6.84
Rot. Bonds6

About 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea

1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 6173194) has the molecular formula C25H23F3N2O and a molecular weight of 424.47 g/mol. Its IUPAC name is 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID6173194
Molecular FormulaC25H23F3N2O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESC/C(=C\c1ccccc1)CN(Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H23F3N2O/c1-19(15-20-9-4-2-5-10-20)17-30(18-21-11-6-3-7-12-21)24(31)29-23-14-8-13-22(16-23)25(26,27)28/h2-16H,17-18H2,1H3,(H,29,31)/b19-15+
InChIKeyLCQYAGJCPYRSOO-XDJHFCHBSA-N
XLogP6.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.47
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-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-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
CID 42697732
1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42697656
1-benzyl-1-tert-butyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3487348
1-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 3849975
2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099
1-benzyl-3-(3-fluorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 1057646
N-benzyl-2-[2-methylbutyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 4573458
1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 157194086
1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3346401
1-(2-benzylideneheptyl)-1-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 5139613
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 3686641
1-benzyl-1-[1-(3-methylbutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 126696222

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 6173194) is 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea is C/C(=C\c1ccccc1)CN(Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is LCQYAGJCPYRSOO-XDJHFCHBSA-N. The full InChI is InChI=1S/C25H23F3N2O/c1-19(15-20-9-4-2-5-10-20)17-30(18-21-11-6-3-7-12-21)24(31)29-23-14-8-13-22(16-23)25(26,27)28/h2-16H,17-18H2,1H3,(H,29,31)/b19-15+.
What are the key properties of 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 424.47 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 6173194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).