1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea

C13H9Cl2FN2O — CID 768083

IUPAC1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2FN2O/c14-11-6-5-10(7-12(11)15)18-13(19)17-9-3-1-8(16)2-4-9/h1-7H,(H2,17,18,19)
InChIKeyXEQQGFZJDTZBFF-UHFFFAOYSA-N
MW299.13 g/mol
LogP4.78
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea

1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea (PubChem CID 768083) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea
PubChem CID768083
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2FN2O/c14-11-6-5-10(7-12(11)15)18-13(19)17-9-3-1-8(16)2-4-9/h1-7H,(H2,17,18,19)
InChIKeyXEQQGFZJDTZBFF-UHFFFAOYSA-N
XLogP4.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)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

Diuron
CID 3120
Linuron
CID 9502
Triclocarban
CID 7547
Urea, (3,4-dichlorophenyl)-
CID 16854
Monomethyldiuron
CID 19113
4-Chlorophenylurea
CID 8796
Neburon
CID 11145
3,3',4,4'-Tetrachlorocarbanilide
CID 95783
Urea, N-(3,4-dichlorophenyl)-N'-hydroxy-
CID 97463
4,4'-Dichlorocarbanilide
CID 94996
Carbanilide, 2,3',4'-trichloro-
CID 25784
N-(3-Chlorophenyl)-N'-(4-chlorophenyl)urea
CID 791964

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea (CID 768083) is 1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea?
The InChIKey is XEQQGFZJDTZBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c14-11-6-5-10(7-12(11)15)18-13(19)17-9-3-1-8(16)2-4-9/h1-7H,(H2,17,18,19).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea?
1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea has a molecular weight of 299.13 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 768083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).