(3,5-dichlorophenyl)urea

C7H6Cl2N2O — CID 4165004

IUPAC(3,5-dichlorophenyl)urea
SMILESNC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H6Cl2N2O/c8-4-1-5(9)3-6(2-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyFTJBMYITMFAUCP-UHFFFAOYSA-N
MW205.04 g/mol
LogP2.48
Rot. Bonds1

About (3,5-dichlorophenyl)urea

(3,5-dichlorophenyl)urea (PubChem CID 4165004) has the molecular formula C7H6Cl2N2O and a molecular weight of 205.04 g/mol. Its IUPAC name is (3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name(3,5-dichlorophenyl)urea
PubChem CID4165004
Molecular FormulaC7H6Cl2N2O
Molecular Weight205.04 g/mol
Exact Mass203.99
IUPAC Name(3,5-dichlorophenyl)urea
SMILESNC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H6Cl2N2O/c8-4-1-5(9)3-6(2-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyFTJBMYITMFAUCP-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Triclocarban
CID 7547
Urea, (3,4-dichlorophenyl)-
CID 16854
4-Chlorophenylurea
CID 8796
3,3',4,4'-Tetrachlorocarbanilide
CID 95783
N'-(3-Chlorophenyl)-N,N-dimethylurea
CID 11480
Urea, N-(3,4-dichlorophenyl)-N'-hydroxy-
CID 97463
4,4'-Dichlorocarbanilide
CID 94996
1-(3-Chlorophenyl)-3-cyclohexylurea
CID 751320
3,5-Dichlorophenylthiourea
CID 2737539
Thiourea, (3-chlorophenyl)-
CID 2734794
N-(3-Chlorophenyl)-N'-(4-chlorophenyl)urea
CID 791964
1-(3-Chlorophenyl)-3-phenylurea
CID 295366

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)urea?
The IUPAC name of (3,5-dichlorophenyl)urea (CID 4165004) is (3,5-dichlorophenyl)urea.
What is the SMILES notation for (3,5-dichlorophenyl)urea?
The canonical SMILES for (3,5-dichlorophenyl)urea is NC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl)urea?
The InChIKey is FTJBMYITMFAUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O/c8-4-1-5(9)3-6(2-4)11-7(10)12/h1-3H,(H3,10,11,12).
What are the key properties of (3,5-dichlorophenyl)urea?
(3,5-dichlorophenyl)urea has a molecular weight of 205.04 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)urea is sourced from PubChem (CID 4165004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).