1-(4-ethenylphenyl)-3-phenyl-1,3-bis(trifluoromethyl)urea

C17H12F6N2O — CID 141333187

IUPAC1-(4-ethenylphenyl)-3-phenyl-1,3-bis(trifluoromethyl)urea
SMILESC=Cc1ccc(N(C(=O)N(c2ccccc2)C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H12F6N2O/c1-2-12-8-10-14(11-9-12)25(17(21,22)23)15(26)24(16(18,19)20)13-6-4-3-5-7-13/h2-11H,1H2
InChIKeySXHARRNLDSQIKD-UHFFFAOYSA-N
MW374.28 g/mol
LogP5.80
Rot. Bonds3

About 1-(4-ethenylphenyl)-3-phenyl-1,3-bis(trifluoromethyl)urea

1-(4-ethenylphenyl)-3-phenyl-1,3-bis(trifluoromethyl)urea (PubChem CID 141333187) has the molecular formula C17H12F6N2O and a molecular weight of 374.28 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)-3-phenyl-1,3-bis(trifluoromethyl)urea.

Molecular Properties

Compound Name1-(4-ethenylphenyl)-3-phenyl-1,3-bis(trifluoromethyl)urea
PubChem CID141333187
Molecular FormulaC17H12F6N2O
Molecular Weight374.28 g/mol
Exact Mass374.09
IUPAC Name1-(4-ethenylphenyl)-3-phenyl-1,3-bis(trifluoromethyl)urea
SMILESC=Cc1ccc(N(C(=O)N(c2ccccc2)C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H12F6N2O/c1-2-12-8-10-14(11-9-12)25(17(21,22)23)15(26)24(16(18,19)20)13-6-4-3-5-7-13/h2-11H,1H2
InChIKeySXHARRNLDSQIKD-UHFFFAOYSA-N
XLogP5.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.28
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-(4-ethenylphenyl)-3-phenyl-1,3-bis(trifluoromethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)-3-phenyl-1,3-bis(trifluoromethyl)urea?
The IUPAC name of 1-(4-ethenylphenyl)-3-phenyl-1,3-bis(trifluoromethyl)urea (CID 141333187) is 1-(4-ethenylphenyl)-3-phenyl-1,3-bis(trifluoromethyl)urea.
What is the SMILES notation for 1-(4-ethenylphenyl)-3-phenyl-1,3-bis(trifluoromethyl)urea?
The canonical SMILES for 1-(4-ethenylphenyl)-3-phenyl-1,3-bis(trifluoromethyl)urea is C=Cc1ccc(N(C(=O)N(c2ccccc2)C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethenylphenyl)-3-phenyl-1,3-bis(trifluoromethyl)urea?
The InChIKey is SXHARRNLDSQIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2O/c1-2-12-8-10-14(11-9-12)25(17(21,22)23)15(26)24(16(18,19)20)13-6-4-3-5-7-13/h2-11H,1H2.
What are the key properties of 1-(4-ethenylphenyl)-3-phenyl-1,3-bis(trifluoromethyl)urea?
1-(4-ethenylphenyl)-3-phenyl-1,3-bis(trifluoromethyl)urea has a molecular weight of 374.28 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)-3-phenyl-1,3-bis(trifluoromethyl)urea is sourced from PubChem (CID 141333187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).