N-(2-benzoyl-6-chloro-3-pyridinyl)-N'-ethylacetohydrazide

C16H16ClN3O2 — CID 21448735

IUPACN-(2-benzoyl-6-chloro-3-pyridinyl)-N'-ethylacetohydrazide
SMILESCCNN(C(C)=O)c1ccc(Cl)nc1C(=O)c1ccccc1
InChIInChI=1S/C16H16ClN3O2/c1-3-18-20(11(2)21)13-9-10-14(17)19-15(13)16(22)12-7-5-4-6-8-12/h4-10,18H,3H2,1-2H3
InChIKeyMDHUZDULSGWPDC-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.84
Rot. Bonds5

About N-(2-benzoyl-6-chloro-3-pyridinyl)-N'-ethylacetohydrazide

N-(2-benzoyl-6-chloro-3-pyridinyl)-N'-ethylacetohydrazide (PubChem CID 21448735) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-(2-benzoyl-6-chloro-3-pyridinyl)-N'-ethylacetohydrazide.

Molecular Properties

Compound NameN-(2-benzoyl-6-chloro-3-pyridinyl)-N'-ethylacetohydrazide
PubChem CID21448735
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN-(2-benzoyl-6-chloro-3-pyridinyl)-N'-ethylacetohydrazide
SMILESCCNN(C(C)=O)c1ccc(Cl)nc1C(=O)c1ccccc1
InChIInChI=1S/C16H16ClN3O2/c1-3-18-20(11(2)21)13-9-10-14(17)19-15(13)16(22)12-7-5-4-6-8-12/h4-10,18H,3H2,1-2H3
InChIKeyMDHUZDULSGWPDC-UHFFFAOYSA-N
XLogP2.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-6-chloro-3-pyridinyl)-N'-ethylacetohydrazide?
The IUPAC name of N-(2-benzoyl-6-chloro-3-pyridinyl)-N'-ethylacetohydrazide (CID 21448735) is N-(2-benzoyl-6-chloro-3-pyridinyl)-N'-ethylacetohydrazide.
What is the SMILES notation for N-(2-benzoyl-6-chloro-3-pyridinyl)-N'-ethylacetohydrazide?
The canonical SMILES for N-(2-benzoyl-6-chloro-3-pyridinyl)-N'-ethylacetohydrazide is CCNN(C(C)=O)c1ccc(Cl)nc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-6-chloro-3-pyridinyl)-N'-ethylacetohydrazide?
The InChIKey is MDHUZDULSGWPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-3-18-20(11(2)21)13-9-10-14(17)19-15(13)16(22)12-7-5-4-6-8-12/h4-10,18H,3H2,1-2H3.
What are the key properties of N-(2-benzoyl-6-chloro-3-pyridinyl)-N'-ethylacetohydrazide?
N-(2-benzoyl-6-chloro-3-pyridinyl)-N'-ethylacetohydrazide has a molecular weight of 317.78 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-6-chloro-3-pyridinyl)-N'-ethylacetohydrazide is sourced from PubChem (CID 21448735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).