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

C13H9Cl3N2O — CID 7547

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IUPAC1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
InChIKeyICUTUKXCWQYESQ-UHFFFAOYSA-N
MW315.59 g/mol
LogP5.29
Rot. Bonds2

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

1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea (PubChem CID 7547) has the molecular formula C13H9Cl3N2O and a molecular weight of 315.59 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea
PubChem CID7547
Molecular FormulaC13H9Cl3N2O
Molecular Weight315.59 g/mol
Exact Mass313.98
IUPAC Name1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
InChIKeyICUTUKXCWQYESQ-UHFFFAOYSA-N
XLogP5.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.59
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Diuron
CID 3120
Propanil
CID 4933
Linuron
CID 9502
Monuron
CID 8800
Urea, (3,4-dichlorophenyl)-
CID 16854
Monomethyldiuron
CID 19113
4-Chlorophenylurea
CID 8796
1-(3,5-Dichlorophenyl)urea
CID 4165004
Monomethylmonuron
CID 79309
Neburon
CID 11145
3,4-Dichloroacetanilide
CID 16530
4,4'-Dichlorocarbanilide
CID 94996

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea (CID 7547) is 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea?
The InChIKey is ICUTUKXCWQYESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea?
1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea has a molecular weight of 315.59 g/mol, XLogP of 5.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 7547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).