1-(2,3-dichlorophenyl)-3-phenylurea

C13H10Cl2N2O — CID 751010

IUPAC1-(2,3-dichlorophenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H10Cl2N2O/c14-10-7-4-8-11(12(10)15)17-13(18)16-9-5-2-1-3-6-9/h1-8H,(H2,16,17,18)
InChIKeyFXMCSZOBLACMJZ-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.64
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-3-phenylurea

1-(2,3-dichlorophenyl)-3-phenylurea (PubChem CID 751010) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-phenylurea
PubChem CID751010
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name1-(2,3-dichlorophenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H10Cl2N2O/c14-10-7-4-8-11(12(10)15)17-13(18)16-9-5-2-1-3-6-9/h1-8H,(H2,16,17,18)
InChIKeyFXMCSZOBLACMJZ-UHFFFAOYSA-N
XLogP4.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Diuron
CID 3120
Linuron
CID 9502
Triclocarban
CID 7547
Urea, (3,4-dichlorophenyl)-
CID 16854
Monomethyldiuron
CID 19113
Neburon
CID 11145
1-(3,5-Dichlorophenyl)urea
CID 4165004
N'-(3-Chlorophenyl)-N,N-dimethylurea
CID 11480
3,3',4,4'-Tetrachlorocarbanilide
CID 95783
Urea, N-(3,4-dichlorophenyl)-N'-hydroxy-
CID 97463
4,4'-Dichlorocarbanilide
CID 94996
1-(3-Chlorophenyl)-3-cyclohexylurea
CID 751320

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-phenylurea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-phenylurea (CID 751010) is 1-(2,3-dichlorophenyl)-3-phenylurea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-phenylurea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-phenylurea is O=C(Nc1ccccc1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-phenylurea?
The InChIKey is FXMCSZOBLACMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-10-7-4-8-11(12(10)15)17-13(18)16-9-5-2-1-3-6-9/h1-8H,(H2,16,17,18).
What are the key properties of 1-(2,3-dichlorophenyl)-3-phenylurea?
1-(2,3-dichlorophenyl)-3-phenylurea has a molecular weight of 281.14 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-phenylurea is sourced from PubChem (CID 751010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).