1-[(4-chlorophenyl)methyl]-N'-(2,4-difluorobenzoyl)-6-oxopyridine-3-carbohydrazide

C20H14ClF2N3O3 — CID 27370735

IUPAC1-[(4-chlorophenyl)methyl]-N'-(2,4-difluorobenzoyl)-6-oxopyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(F)cc1F)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H14ClF2N3O3/c21-14-4-1-12(2-5-14)10-26-11-13(3-8-18(26)27)19(28)24-25-20(29)16-7-6-15(22)9-17(16)23/h1-9,11H,10H2,(H,24,28)(H,25,29)
InChIKeyQQSGTNRJNXUQQD-UHFFFAOYSA-N
MW417.80 g/mol
LogP2.90
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-N'-(2,4-difluorobenzoyl)-6-oxopyridine-3-carbohydrazide

1-[(4-chlorophenyl)methyl]-N'-(2,4-difluorobenzoyl)-6-oxopyridine-3-carbohydrazide (PubChem CID 27370735) has the molecular formula C20H14ClF2N3O3 and a molecular weight of 417.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N'-(2,4-difluorobenzoyl)-6-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N'-(2,4-difluorobenzoyl)-6-oxopyridine-3-carbohydrazide
PubChem CID27370735
Molecular FormulaC20H14ClF2N3O3
Molecular Weight417.80 g/mol
Exact Mass417.07
IUPAC Name1-[(4-chlorophenyl)methyl]-N'-(2,4-difluorobenzoyl)-6-oxopyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(F)cc1F)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H14ClF2N3O3/c21-14-4-1-12(2-5-14)10-26-11-13(3-8-18(26)27)19(28)24-25-20(29)16-7-6-15(22)9-17(16)23/h1-9,11H,10H2,(H,24,28)(H,25,29)
InChIKeyQQSGTNRJNXUQQD-UHFFFAOYSA-N
XLogP2.90
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.80
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N'-(2,4-difluorobenzoyl)-6-oxopyridine-3-carbohydrazide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N'-(2,4-difluorobenzoyl)-6-oxopyridine-3-carbohydrazide (CID 27370735) is 1-[(4-chlorophenyl)methyl]-N'-(2,4-difluorobenzoyl)-6-oxopyridine-3-carbohydrazide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N'-(2,4-difluorobenzoyl)-6-oxopyridine-3-carbohydrazide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N'-(2,4-difluorobenzoyl)-6-oxopyridine-3-carbohydrazide is O=C(NNC(=O)c1ccc(F)cc1F)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N'-(2,4-difluorobenzoyl)-6-oxopyridine-3-carbohydrazide?
The InChIKey is QQSGTNRJNXUQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N3O3/c21-14-4-1-12(2-5-14)10-26-11-13(3-8-18(26)27)19(28)24-25-20(29)16-7-6-15(22)9-17(16)23/h1-9,11H,10H2,(H,24,28)(H,25,29).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N'-(2,4-difluorobenzoyl)-6-oxopyridine-3-carbohydrazide?
1-[(4-chlorophenyl)methyl]-N'-(2,4-difluorobenzoyl)-6-oxopyridine-3-carbohydrazide has a molecular weight of 417.80 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N'-(2,4-difluorobenzoyl)-6-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 27370735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).