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

C13H8BrCl2FN2O — CID 65431622

IUPAC1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Br)c(F)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8BrCl2FN2O/c14-9-3-1-8(6-12(9)17)19-13(20)18-7-2-4-10(15)11(16)5-7/h1-6H,(H2,18,19,20)
InChIKeyVGWHVPNJOSJOQV-UHFFFAOYSA-N
MW378.03 g/mol
LogP5.54
Rot. Bonds2

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

1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea (PubChem CID 65431622) has the molecular formula C13H8BrCl2FN2O and a molecular weight of 378.03 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea
PubChem CID65431622
Molecular FormulaC13H8BrCl2FN2O
Molecular Weight378.03 g/mol
Exact Mass375.92
IUPAC Name1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Br)c(F)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8BrCl2FN2O/c14-9-3-1-8(6-12(9)17)19-13(20)18-7-2-4-10(15)11(16)5-7/h1-6H,(H2,18,19,20)
InChIKeyVGWHVPNJOSJOQV-UHFFFAOYSA-N
XLogP5.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.03
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)urea
CID 171854849
1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea
CID 79767592
1-(4-bromo-3-fluorophenyl)-3-(3-chlorophenyl)urea
CID 65431813
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
CID 108991868
2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 115678055
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81002084
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
N-(4-bromo-3-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 65435923

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea (CID 65431622) is 1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea is O=C(Nc1ccc(Br)c(F)c1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea?
The InChIKey is VGWHVPNJOSJOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2FN2O/c14-9-3-1-8(6-12(9)17)19-13(20)18-7-2-4-10(15)11(16)5-7/h1-6H,(H2,18,19,20).
What are the key properties of 1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea?
1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea has a molecular weight of 378.03 g/mol, XLogP of 5.54, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 65431622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).