(3,4-dichlorophenyl)urea

C7H6Cl2N2O — CID 16854

IUPAC(3,4-dichlorophenyl)urea
SMILESNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyCYESCLHCWJKRKM-UHFFFAOYSA-N
MW205.04 g/mol
LogP2.48
Rot. Bonds1

About (3,4-dichlorophenyl)urea

(3,4-dichlorophenyl)urea (PubChem CID 16854) has the molecular formula C7H6Cl2N2O and a molecular weight of 205.04 g/mol. Its IUPAC name is (3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name(3,4-dichlorophenyl)urea
PubChem CID16854
Molecular FormulaC7H6Cl2N2O
Molecular Weight205.04 g/mol
Exact Mass203.99
IUPAC Name(3,4-dichlorophenyl)urea
SMILESNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyCYESCLHCWJKRKM-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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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)urea?
The IUPAC name of (3,4-dichlorophenyl)urea (CID 16854) is (3,4-dichlorophenyl)urea.
What is the SMILES notation for (3,4-dichlorophenyl)urea?
The canonical SMILES for (3,4-dichlorophenyl)urea is NC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)urea?
The InChIKey is CYESCLHCWJKRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12).
What are the key properties of (3,4-dichlorophenyl)urea?
(3,4-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 (3,4-dichlorophenyl)urea is sourced from PubChem (CID 16854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).