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

C14H12Cl2N2O — CID 853757

IUPAC1-benzyl-3-(3,4-dichlorophenyl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c15-12-7-6-11(8-13(12)16)18-14(19)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,18,19)
InChIKeyGRXQHQFVEWVTFZ-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.32
Rot. Bonds3

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

1-benzyl-3-(3,4-dichlorophenyl)urea (PubChem CID 853757) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 1-benzyl-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(3,4-dichlorophenyl)urea
PubChem CID853757
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name1-benzyl-3-(3,4-dichlorophenyl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c15-12-7-6-11(8-13(12)16)18-14(19)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,18,19)
InChIKeyGRXQHQFVEWVTFZ-UHFFFAOYSA-N
XLogP4.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Neburon
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3,3',4,4'-Tetrachlorocarbanilide
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N-(3-Chlorophenyl)-N'-(4-chlorophenyl)urea
CID 791964

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-benzyl-3-(3,4-dichlorophenyl)urea (CID 853757) is 1-benzyl-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-benzyl-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-benzyl-3-(3,4-dichlorophenyl)urea is O=C(NCc1ccccc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-benzyl-3-(3,4-dichlorophenyl)urea?
The InChIKey is GRXQHQFVEWVTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c15-12-7-6-11(8-13(12)16)18-14(19)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,18,19).
What are the key properties of 1-benzyl-3-(3,4-dichlorophenyl)urea?
1-benzyl-3-(3,4-dichlorophenyl)urea has a molecular weight of 295.17 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 853757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).