1-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)urea

C12H9Cl2N3O — CID 878385

IUPAC1-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H9Cl2N3O/c13-8-2-1-3-10(6-8)16-12(18)17-11-5-4-9(14)7-15-11/h1-7H,(H2,15,16,17,18)
InChIKeyNVEFNEMJUBGMAG-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.03
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)urea

1-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)urea (PubChem CID 878385) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)urea
PubChem CID878385
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name1-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H9Cl2N3O/c13-8-2-1-3-10(6-8)16-12(18)17-11-5-4-9(14)7-15-11/h1-7H,(H2,15,16,17,18)
InChIKeyNVEFNEMJUBGMAG-UHFFFAOYSA-N
XLogP4.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)urea (CID 878385) is 1-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)urea is O=C(Nc1cccc(Cl)c1)Nc1ccc(Cl)cn1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)urea?
The InChIKey is NVEFNEMJUBGMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-8-2-1-3-10(6-8)16-12(18)17-11-5-4-9(14)7-15-11/h1-7H,(H2,15,16,17,18).
What are the key properties of 1-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)urea?
1-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)urea has a molecular weight of 282.13 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)urea is sourced from PubChem (CID 878385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).