2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide

C17H17Cl2N3O2 — CID 167810660

IUPAC2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide
SMILESO=C(Cc1cc(Cl)ccc1Cl)N(CC1CCCO1)c1ccnnc1
InChIInChI=1S/C17H17Cl2N3O2/c18-13-3-4-16(19)12(8-13)9-17(23)22(11-15-2-1-7-24-15)14-5-6-20-21-10-14/h3-6,8,10,15H,1-2,7,9,11H2
InChIKeyQLQCFHRDYBMEJI-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.54
Rot. Bonds5

About 2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide

2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide (PubChem CID 167810660) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide
PubChem CID167810660
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide
SMILESO=C(Cc1cc(Cl)ccc1Cl)N(CC1CCCO1)c1ccnnc1
InChIInChI=1S/C17H17Cl2N3O2/c18-13-3-4-16(19)12(8-13)9-17(23)22(11-15-2-1-7-24-15)14-5-6-20-21-10-14/h3-6,8,10,15H,1-2,7,9,11H2
InChIKeyQLQCFHRDYBMEJI-UHFFFAOYSA-N
XLogP3.54
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide
CID 126829951
N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide
CID 167761276
trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide
CID 154843714
5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide
CID 166252472
2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733181
2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118825
5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide
CID 96547612
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989709
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 55754212
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989750
3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide
CID 136525666
2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 114918226

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide (CID 167810660) is 2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide is O=C(Cc1cc(Cl)ccc1Cl)N(CC1CCCO1)c1ccnnc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide?
The InChIKey is QLQCFHRDYBMEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c18-13-3-4-16(19)12(8-13)9-17(23)22(11-15-2-1-7-24-15)14-5-6-20-21-10-14/h3-6,8,10,15H,1-2,7,9,11H2.
What are the key properties of 2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide?
2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide has a molecular weight of 366.25 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide is sourced from PubChem (CID 167810660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).