1,3-bis(2,5-dichlorophenyl)urea

C13H8Cl4N2O — CID 25778

IUPAC1,3-bis(2,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H8Cl4N2O/c14-7-1-3-9(16)11(5-7)18-13(20)19-12-6-8(15)2-4-10(12)17/h1-6H,(H2,18,19,20)
InChIKeyNGADHVHLPNQITE-UHFFFAOYSA-N
MW350.03 g/mol
LogP5.94
Rot. Bonds2

About 1,3-bis(2,5-dichlorophenyl)urea

1,3-bis(2,5-dichlorophenyl)urea (PubChem CID 25778) has the molecular formula C13H8Cl4N2O and a molecular weight of 350.03 g/mol. Its IUPAC name is 1,3-bis(2,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1,3-bis(2,5-dichlorophenyl)urea
PubChem CID25778
Molecular FormulaC13H8Cl4N2O
Molecular Weight350.03 g/mol
Exact Mass347.94
IUPAC Name1,3-bis(2,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H8Cl4N2O/c14-7-1-3-9(16)11(5-7)18-13(20)19-12-6-8(15)2-4-10(12)17/h1-6H,(H2,18,19,20)
InChIKeyNGADHVHLPNQITE-UHFFFAOYSA-N
XLogP5.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.03
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Triclocarban
CID 7547
1-(3,5-Dichlorophenyl)urea
CID 4165004
N'-(3-Chlorophenyl)-N,N-dimethylurea
CID 11480
3,3',4,4'-Tetrachlorocarbanilide
CID 95783
Acetamide, N-(2,5-dichlorophenyl)-
CID 17494
4,4'-Dichlorocarbanilide
CID 94996
1-(3-Chlorophenyl)-3-cyclohexylurea
CID 751320
Carbanilide, 2,3',4'-trichloro-
CID 25784
N-(3-Chlorophenyl)-N'-(4-chlorophenyl)urea
CID 791964
1-(3-Chlorophenyl)-3-phenylurea
CID 295366
1,3-Bis(2-chlorophenyl)urea
CID 236222
1-(3,4-Dichlorophenyl)-3-phenylurea
CID 250642

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,5-dichlorophenyl)urea?
The IUPAC name of 1,3-bis(2,5-dichlorophenyl)urea (CID 25778) is 1,3-bis(2,5-dichlorophenyl)urea.
What is the SMILES notation for 1,3-bis(2,5-dichlorophenyl)urea?
The canonical SMILES for 1,3-bis(2,5-dichlorophenyl)urea is O=C(Nc1cc(Cl)ccc1Cl)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,3-bis(2,5-dichlorophenyl)urea?
The InChIKey is NGADHVHLPNQITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4N2O/c14-7-1-3-9(16)11(5-7)18-13(20)19-12-6-8(15)2-4-10(12)17/h1-6H,(H2,18,19,20).
What are the key properties of 1,3-bis(2,5-dichlorophenyl)urea?
1,3-bis(2,5-dichlorophenyl)urea has a molecular weight of 350.03 g/mol, XLogP of 5.94, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,5-dichlorophenyl)urea is sourced from PubChem (CID 25778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).