[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3,4-dichlorophenyl)methanone

C17H13Cl3N2O — CID 3775890

IUPAC[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H13Cl3N2O/c18-13-6-3-11(4-7-13)16-2-1-9-22(21-16)17(23)12-5-8-14(19)15(20)10-12/h3-8,10H,1-2,9H2
InChIKeyAXGUMIPANVDHSE-UHFFFAOYSA-N
MW367.66 g/mol
LogP5.29
Rot. Bonds2

About [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3,4-dichlorophenyl)methanone

[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3,4-dichlorophenyl)methanone (PubChem CID 3775890) has the molecular formula C17H13Cl3N2O and a molecular weight of 367.66 g/mol. Its IUPAC name is [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3,4-dichlorophenyl)methanone
PubChem CID3775890
Molecular FormulaC17H13Cl3N2O
Molecular Weight367.66 g/mol
Exact Mass366.01
IUPAC Name[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H13Cl3N2O/c18-13-6-3-11(4-7-13)16-2-1-9-22(21-16)17(23)12-5-8-14(19)15(20)10-12/h3-8,10H,1-2,9H2
InChIKeyAXGUMIPANVDHSE-UHFFFAOYSA-N
XLogP5.29
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Azelastine
CID 2267
Azelastine Hydrochloride
CID 54360
1(2H)-Phthalazinone, 4-(p-chlorobenzyl)-2-(2-(dimethylamino)ethyl)-, hydrochloride
CID 203096
4-[(4-Chlorophenyl)methyl]-2-[2-(1-methylpyrrolidin-2-yl)ethyl]phthalazin-1-one
CID 52937223
4-(4-chlorobenzyl)-2-methylphthalazin-1(2H)-one
CID 11522042
1-benzoyl-5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 4685291
(S)-Azelastine
CID 12831281
4-(4-chlorobenzyl)-2-allylphthalazin-1(2H)-one
CID 15959119
4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 15254720
4-[(4-Chlorophenyl)methyl]-2-(1-methylpiperidin-4-yl)phthalazin-1-one
CID 52937222
4-[(4-chlorophenyl)methyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937830
2-[[(2R)-1-butylpyrrolidin-2-yl]methyl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one
CID 71461781

Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3,4-dichlorophenyl)methanone?
The IUPAC name of [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3,4-dichlorophenyl)methanone (CID 3775890) is [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3,4-dichlorophenyl)methanone?
The canonical SMILES for [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3,4-dichlorophenyl)methanone?
The InChIKey is AXGUMIPANVDHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O/c18-13-6-3-11(4-7-13)16-2-1-9-22(21-16)17(23)12-5-8-14(19)15(20)10-12/h3-8,10H,1-2,9H2.
What are the key properties of [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3,4-dichlorophenyl)methanone?
[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3,4-dichlorophenyl)methanone has a molecular weight of 367.66 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 3775890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).