N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide

C19H14ClN3O2 — CID 58858336

IUPACN'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide
SMILESO=C(NNC(=O)c1ccc(-c2ccncc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O2/c20-17-7-5-16(6-8-17)19(25)23-22-18(24)15-3-1-13(2-4-15)14-9-11-21-12-10-14/h1-12H,(H,22,24)(H,23,25)
InChIKeyLVGWSYHKPYOGAU-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.48
Rot. Bonds3

About N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide

N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide (PubChem CID 58858336) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide
PubChem CID58858336
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC NameN'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide
SMILESO=C(NNC(=O)c1ccc(-c2ccncc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O2/c20-17-7-5-16(6-8-17)19(25)23-22-18(24)15-3-1-13(2-4-15)14-9-11-21-12-10-14/h1-12H,(H,22,24)(H,23,25)
InChIKeyLVGWSYHKPYOGAU-UHFFFAOYSA-N
XLogP3.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057
4-chloro-N'-(tripyridin-4-ylmethyl)benzohydrazide
CID 20696146
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
3-amino-N'-(4-pyridin-4-ylbenzoyl)benzohydrazide
CID 143062088
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
N'-acetyl-4-chlorobenzohydrazide
CID 799230
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 41467160
4-chloro-N'-prop-2-enoylbenzohydrazide
CID 101094215
N-propan-2-yl-4-pyridin-4-ylbenzamide
CID 18337148
2-N',6-N'-bis(4-chlorobenzoyl)pyridine-2,6-dicarbohydrazide
CID 43063875
N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide
CID 3977689

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide (CID 58858336) is N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide is O=C(NNC(=O)c1ccc(-c2ccncc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide?
The InChIKey is LVGWSYHKPYOGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-17-7-5-16(6-8-17)19(25)23-22-18(24)15-3-1-13(2-4-15)14-9-11-21-12-10-14/h1-12H,(H,22,24)(H,23,25).
What are the key properties of N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide?
N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide has a molecular weight of 351.79 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide is sourced from PubChem (CID 58858336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).