1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea

C15H11F3N2O2 — CID 87362484

IUPAC1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=Cc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)11-4-6-12(7-5-11)19-14(22)20-13-3-1-2-10(8-13)9-21/h1-9H,(H2,19,20,22)
InChIKeyGFEOCXQMZZVJPD-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.16
Rot. Bonds3

About 1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 87362484) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID87362484
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=Cc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)11-4-6-12(7-5-11)19-14(22)20-13-3-1-2-10(8-13)9-21/h1-9H,(H2,19,20,22)
InChIKeyGFEOCXQMZZVJPD-UHFFFAOYSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(3-formylphenyl)-3-[4-(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-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]urea
CID 90105726
1-(4-cyanophenyl)-3-(3-formylphenyl)urea
CID 106912803
1-(3-formylphenyl)-3-[2-[3-(methylamino)propoxy]-5-(trifluoromethyl)phenyl]urea
CID 90105992
tert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamate
CID 171782912
2,2,3-trifluoro-N-(3-formylphenyl)propanamide
CID 87575874
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-[4-(pyridin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10248635
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282
1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71496036
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 19433217
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063

Frequently Asked Questions

What is the IUPAC name of 1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 87362484) is 1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea is O=Cc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is GFEOCXQMZZVJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c16-15(17,18)11-4-6-12(7-5-11)19-14(22)20-13-3-1-2-10(8-13)9-21/h1-9H,(H2,19,20,22).
What are the key properties of 1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 308.26 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 87362484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).