3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one

C22H15ClN2O2 — CID 18440189

IUPAC3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(Cl)cc1)c1cc(Cc2ccc(=O)[nH]n2)cc2ccccc12
InChIInChI=1S/C22H15ClN2O2/c23-17-7-5-15(6-8-17)22(27)20-13-14(11-16-3-1-2-4-19(16)20)12-18-9-10-21(26)25-24-18/h1-11,13H,12H2,(H,25,26)
InChIKeyLPLXVRVTKRYEAV-UHFFFAOYSA-N
MW374.83 g/mol
LogP4.40
Rot. Bonds4

About 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one

3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one (PubChem CID 18440189) has the molecular formula C22H15ClN2O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one
PubChem CID18440189
Molecular FormulaC22H15ClN2O2
Molecular Weight374.83 g/mol
Exact Mass374.08
IUPAC Name3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(Cl)cc1)c1cc(Cc2ccc(=O)[nH]n2)cc2ccccc12
InChIInChI=1S/C22H15ClN2O2/c23-17-7-5-15(6-8-17)22(27)20-13-14(11-16-3-1-2-4-19(16)20)12-18-9-10-21(26)25-24-18/h1-11,13H,12H2,(H,25,26)
InChIKeyLPLXVRVTKRYEAV-UHFFFAOYSA-N
XLogP4.40
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
CID 5690151
N'-(4-chlorobenzoyl)-2-naphthohydrazide
CID 258829
4-[(4-chlorophenyl)methyl]-6-methyl-2H-phthalazin-1-one
CID 15959094
3-chloro-N-[(E)-(1-oxoaceanthrylen-2-ylidene)amino]benzamide
CID 5955340
N-[(E)-(4-chloro-3-fluorophenyl)methylideneamino]naphthalene-2-carboxamide
CID 45109299
2-(4-chlorophenyl)-N-(6-fluoro-1-oxo-4-phenylphthalazin-2(1H)-yl)acetamide
CID 53237967
N-[4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 53239107
N-[4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 53239109
N-[4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl]-2-fluoro-2-phenylacetamide
CID 53239330
2-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1-oxophthalazin-2(1H)-yl]acetamide
CID 67160593
8-(4-chlorophenyl)-4-(4-fluorophenyl)-2H-phthalazin-1-one
CID 139660883
CID 2487130
CID 2487130

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one (CID 18440189) is 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one is O=C(c1ccc(Cl)cc1)c1cc(Cc2ccc(=O)[nH]n2)cc2ccccc12.
What is the InChIKey of 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one?
The InChIKey is LPLXVRVTKRYEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O2/c23-17-7-5-15(6-8-17)22(27)20-13-14(11-16-3-1-2-4-19(16)20)12-18-9-10-21(26)25-24-18/h1-11,13H,12H2,(H,25,26).
What are the key properties of 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one?
3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one has a molecular weight of 374.83 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-chlorobenzoyl)naphthalen-2-yl]methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 18440189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).