1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea

C13H8BrCl3N2O — CID 172725439

IUPAC1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H8BrCl3N2O/c14-7-1-8(15)4-11(2-7)18-13(20)19-12-5-9(16)3-10(17)6-12/h1-6H,(H2,18,19,20)
InChIKeyHBUALPCEVDUCFJ-UHFFFAOYSA-N
MW394.48 g/mol
LogP6.05
Rot. Bonds2

About 1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea

1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea (PubChem CID 172725439) has the molecular formula C13H8BrCl3N2O and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
PubChem CID172725439
Molecular FormulaC13H8BrCl3N2O
Molecular Weight394.48 g/mol
Exact Mass391.89
IUPAC Name1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H8BrCl3N2O/c14-7-1-8(15)4-11(2-7)18-13(20)19-12-5-9(16)3-10(17)6-12/h1-6H,(H2,18,19,20)
InChIKeyHBUALPCEVDUCFJ-UHFFFAOYSA-N
XLogP6.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758
1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175722040
1-(3-bromo-5-chlorophenyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 175721835
2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide
CID 166747489
(3-bromo-5-chlorophenyl)thiourea
CID 131211224
1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-dichlorophenyl)urea
CID 107653631
N-(3-bromo-5-chlorophenyl)-5-chloro-2-hydroxybenzamide
CID 177120584
1-(3,5-dibromophenyl)-3-phenylurea
CID 25129837
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828
1-cyano-3-(3,5-dichlorophenyl)urea
CID 107654843
N-[(3,5-dichlorophenyl)carbamoyl]sulfamoyl chloride
CID 151962445

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea (CID 172725439) is 1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea is O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is HBUALPCEVDUCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl3N2O/c14-7-1-8(15)4-11(2-7)18-13(20)19-12-5-9(16)3-10(17)6-12/h1-6H,(H2,18,19,20).
What are the key properties of 1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea?
1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 394.48 g/mol, XLogP of 6.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 172725439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).