3-benzoyl-6-(4-chlorophenyl)-5-phenyldiazenyl-1H-pyridin-2-one

C24H16ClN3O2 — CID 146171536

IUPAC3-benzoyl-6-(4-chlorophenyl)-5-phenyldiazenyl-1H-pyridin-2-one
SMILESO=C(c1ccccc1)c1cc(/N=N/c2ccccc2)c(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C24H16ClN3O2/c25-18-13-11-16(12-14-18)22-21(28-27-19-9-5-2-6-10-19)15-20(24(30)26-22)23(29)17-7-3-1-4-8-17/h1-15H,(H,26,30)/b28-27+
InChIKeyWQONSEVNAXRXAW-BYYHNAKLSA-N
MW413.86 g/mol
LogP6.34
Rot. Bonds5

About 3-benzoyl-6-(4-chlorophenyl)-5-phenyldiazenyl-1H-pyridin-2-one

3-benzoyl-6-(4-chlorophenyl)-5-phenyldiazenyl-1H-pyridin-2-one (PubChem CID 146171536) has the molecular formula C24H16ClN3O2 and a molecular weight of 413.86 g/mol. Its IUPAC name is 3-benzoyl-6-(4-chlorophenyl)-5-phenyldiazenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-benzoyl-6-(4-chlorophenyl)-5-phenyldiazenyl-1H-pyridin-2-one
PubChem CID146171536
Molecular FormulaC24H16ClN3O2
Molecular Weight413.86 g/mol
Exact Mass413.09
IUPAC Name3-benzoyl-6-(4-chlorophenyl)-5-phenyldiazenyl-1H-pyridin-2-one
SMILESO=C(c1ccccc1)c1cc(/N=N/c2ccccc2)c(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C24H16ClN3O2/c25-18-13-11-16(12-14-18)22-21(28-27-19-9-5-2-6-10-19)15-20(24(30)26-22)23(29)17-7-3-1-4-8-17/h1-15H,(H,26,30)/b28-27+
InChIKeyWQONSEVNAXRXAW-BYYHNAKLSA-N
XLogP6.34
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.86
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
CID 146171454
[5-chloro-2-[(4-chlorophenyl)diazenyl]phenyl]-phenylmethanone
CID 102337066
2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
CID 146171449
5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile
CID 135018572
(2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone
CID 3578467
(4-fluorophenyl)-(2-phenyldiazenylphenyl)methanone
CID 132531231
2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide
CID 165365429
[2-(4-chlorophenyl)phenyl]-phenyldiazene
CID 87651281
6-hydroxy-3,5-bis(phenyldiazenyl)-1H-pyridin-2-one
CID 135692487
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 137207284
acetic acid;3-[(2-benzoyl-4-chlorophenyl)iminomethyl]-1H-quinoxalin-2-one;cobalt;hydrate
CID 139241466

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-6-(4-chlorophenyl)-5-phenyldiazenyl-1H-pyridin-2-one?
The IUPAC name of 3-benzoyl-6-(4-chlorophenyl)-5-phenyldiazenyl-1H-pyridin-2-one (CID 146171536) is 3-benzoyl-6-(4-chlorophenyl)-5-phenyldiazenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-benzoyl-6-(4-chlorophenyl)-5-phenyldiazenyl-1H-pyridin-2-one?
The canonical SMILES for 3-benzoyl-6-(4-chlorophenyl)-5-phenyldiazenyl-1H-pyridin-2-one is O=C(c1ccccc1)c1cc(/N=N/c2ccccc2)c(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 3-benzoyl-6-(4-chlorophenyl)-5-phenyldiazenyl-1H-pyridin-2-one?
The InChIKey is WQONSEVNAXRXAW-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H16ClN3O2/c25-18-13-11-16(12-14-18)22-21(28-27-19-9-5-2-6-10-19)15-20(24(30)26-22)23(29)17-7-3-1-4-8-17/h1-15H,(H,26,30)/b28-27+.
What are the key properties of 3-benzoyl-6-(4-chlorophenyl)-5-phenyldiazenyl-1H-pyridin-2-one?
3-benzoyl-6-(4-chlorophenyl)-5-phenyldiazenyl-1H-pyridin-2-one has a molecular weight of 413.86 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-6-(4-chlorophenyl)-5-phenyldiazenyl-1H-pyridin-2-one is sourced from PubChem (CID 146171536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).