3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide

C19H14ClN3O3 — CID 11349148

IUPAC3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(Cl)c1)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C19H14ClN3O3/c20-15-3-1-2-14(12-15)19(25)23-22-18(24)13-4-6-16(7-5-13)26-17-8-10-21-11-9-17/h1-12H,(H,22,24)(H,23,25)
InChIKeyKOICAJTZSAXRIW-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.60
Rot. Bonds4

About 3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide

3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide (PubChem CID 11349148) has the molecular formula C19H14ClN3O3 and a molecular weight of 367.79 g/mol. Its IUPAC name is 3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
PubChem CID11349148
Molecular FormulaC19H14ClN3O3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC Name3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(Cl)c1)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C19H14ClN3O3/c20-15-3-1-2-14(12-15)19(25)23-22-18(24)13-4-6-16(7-5-13)26-17-8-10-21-11-9-17/h1-12H,(H,22,24)(H,23,25)
InChIKeyKOICAJTZSAXRIW-UHFFFAOYSA-N
XLogP3.60
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.60
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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Related Compounds

4-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11451854
5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11199895
4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 11441514
3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4926011
N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide
CID 9475751
4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide
CID 21231530
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide
CID 58858303
N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
CID 7918365
3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide
CID 27605122

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide?
The IUPAC name of 3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide (CID 11349148) is 3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide.
What is the SMILES notation for 3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide?
The canonical SMILES for 3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide is O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(Oc2ccncc2)cc1.
What is the InChIKey of 3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide?
The InChIKey is KOICAJTZSAXRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3/c20-15-3-1-2-14(12-15)19(25)23-22-18(24)13-4-6-16(7-5-13)26-17-8-10-21-11-9-17/h1-12H,(H,22,24)(H,23,25).
What are the key properties of 3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide?
3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide has a molecular weight of 367.79 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide is sourced from PubChem (CID 11349148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).