1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea

C14H14Cl2N4O2 — CID 30948649

IUPAC1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
SMILESO=C(NCCCn1ncccc1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H14Cl2N4O2/c15-10-7-11(16)9-12(8-10)19-14(22)17-4-2-6-20-13(21)3-1-5-18-20/h1,3,5,7-9H,2,4,6H2,(H2,17,19,22)
InChIKeyNLEXJALQMGPDCX-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.76
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea

1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea (PubChem CID 30948649) has the molecular formula C14H14Cl2N4O2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
PubChem CID30948649
Molecular FormulaC14H14Cl2N4O2
Molecular Weight341.20 g/mol
Exact Mass340.05
IUPAC Name1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
SMILESO=C(NCCCn1ncccc1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H14Cl2N4O2/c15-10-7-11(16)9-12(8-10)19-14(22)17-4-2-6-20-13(21)3-1-5-18-20/h1,3,5,7-9H,2,4,6H2,(H2,17,19,22)
InChIKeyNLEXJALQMGPDCX-UHFFFAOYSA-N
XLogP2.76
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948625
1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948615
1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948399
1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948397
1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea
CID 107143334
2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide
CID 121068674
N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide
CID 30948474
N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
CID 62849241
1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-chlorophenyl)urea
CID 17297927
2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948534
1-(3,5-dichlorophenyl)-3-pent-4-ynylurea
CID 103709982
N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079717

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea (CID 30948649) is 1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea is O=C(NCCCn1ncccc1=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
The InChIKey is NLEXJALQMGPDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2/c15-10-7-11(16)9-12(8-10)19-14(22)17-4-2-6-20-13(21)3-1-5-18-20/h1,3,5,7-9H,2,4,6H2,(H2,17,19,22).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea?
1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea has a molecular weight of 341.20 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea is sourced from PubChem (CID 30948649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).