(E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide

C16H13Cl2N3O3 — CID 9078066

IUPAC(E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C16H13Cl2N3O3/c17-12-5-3-4-11(16(12)18)7-8-13(22)19-20-14(23)10-21-9-2-1-6-15(21)24/h1-9H,10H2,(H,19,22)(H,20,23)/b8-7+
InChIKeyFQNVBANRYMFDOY-BQYQJAHWSA-N
MW366.20 g/mol
LogP2.02
Rot. Bonds4

About (E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide

(E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide (PubChem CID 9078066) has the molecular formula C16H13Cl2N3O3 and a molecular weight of 366.20 g/mol. Its IUPAC name is (E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
PubChem CID9078066
Molecular FormulaC16H13Cl2N3O3
Molecular Weight366.20 g/mol
Exact Mass365.03
IUPAC Name(E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C16H13Cl2N3O3/c17-12-5-3-4-11(16(12)18)7-8-13(22)19-20-14(23)10-21-9-2-1-6-15(21)24/h1-9H,10H2,(H,19,22)(H,20,23)/b8-7+
InChIKeyFQNVBANRYMFDOY-BQYQJAHWSA-N
XLogP2.02
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078015
N-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 24638472
(E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078172
(E)-N'-[2-(2-oxo-1-pyridinyl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide
CID 9078045
2-chloro-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzamide
CID 9077775
N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 51176255
N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide
CID 9340429
(E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078335
N'-[2-(2-oxo-1-pyridinyl)acetyl]-2,2-diphenylacetohydrazide
CID 9077513
(E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 127030404
(2R)-2-[3-(2,3-dichlorophenyl)prop-2-enoylamino]propanoic acid
CID 78972941
(E)-3-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 9205447

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide (CID 9078066) is (E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide is O=C(/C=C/c1cccc(Cl)c1Cl)NNC(=O)Cn1ccccc1=O.
What is the InChIKey of (E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide?
The InChIKey is FQNVBANRYMFDOY-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3/c17-12-5-3-4-11(16(12)18)7-8-13(22)19-20-14(23)10-21-9-2-1-6-15(21)24/h1-9H,10H2,(H,19,22)(H,20,23)/b8-7+.
What are the key properties of (E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide?
(E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide has a molecular weight of 366.20 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide is sourced from PubChem (CID 9078066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).