1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea

C19H13F3N2O — CID 108867200

IUPAC1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H13F3N2O/c20-15-10-11-16(18(22)17(15)21)24-19(25)23-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H2,23,24,25)
InChIKeyUZUKREGVIZDHMJ-UHFFFAOYSA-N
MW342.32 g/mol
LogP5.41
Rot. Bonds3

About 1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea

1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea (PubChem CID 108867200) has the molecular formula C19H13F3N2O and a molecular weight of 342.32 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea
PubChem CID108867200
Molecular FormulaC19H13F3N2O
Molecular Weight342.32 g/mol
Exact Mass342.10
IUPAC Name1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H13F3N2O/c20-15-10-11-16(18(22)17(15)21)24-19(25)23-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H2,23,24,25)
InChIKeyUZUKREGVIZDHMJ-UHFFFAOYSA-N
XLogP5.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.32
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)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-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108992623
4-benzamido-N-(2,3,4-trifluorophenyl)benzamide
CID 30705483
3-[(2,3,4-trifluorophenyl)carbamoylamino]benzoic acid
CID 108892424
1-(2,3,4-trifluorophenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871967
1-(5-phenyl-1,2-oxazol-3-yl)-3-(2,3,4-trifluorophenyl)urea
CID 108812789
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049282
2-phenyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26357388
1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892439
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108980631
1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea
CID 21184737
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108992547

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea (CID 108867200) is 1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea is O=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is UZUKREGVIZDHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O/c20-15-10-11-16(18(22)17(15)21)24-19(25)23-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H2,23,24,25).
What are the key properties of 1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea?
1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 342.32 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 108867200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).