2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide

C16H14ClN3O4 — CID 4090907

IUPAC2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
SMILESC=C(NNC(=O)COc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14ClN3O4/c1-11(12-3-2-4-14(9-12)20(22)23)18-19-16(21)10-24-15-7-5-13(17)6-8-15/h2-9,18H,1,10H2,(H,19,21)
InChIKeyWOJFXLHDWSKVCO-UHFFFAOYSA-N
MW347.76 g/mol
LogP2.92
Rot. Bonds7

About 2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide

2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide (PubChem CID 4090907) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
PubChem CID4090907
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC Name2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
SMILESC=C(NNC(=O)COc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14ClN3O4/c1-11(12-3-2-4-14(9-12)20(22)23)18-19-16(21)10-24-15-7-5-13(17)6-8-15/h2-9,18H,1,10H2,(H,19,21)
InChIKeyWOJFXLHDWSKVCO-UHFFFAOYSA-N
XLogP2.92
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide
CID 5090258
2-(4-chlorophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6870633
N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2832007
N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 7434007
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 26850877
4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
CID 46575952
3-[(4-chlorophenoxy)methyl]-N-(3-nitrophenyl)benzamide
CID 1225516
2-(3,4-dichlorophenoxy)-1-(3-nitrophenyl)ethanone
CID 18184732
3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 932571
2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
CID 4069374
(E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide
CID 17195593
N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865410

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide?
The IUPAC name of 2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide (CID 4090907) is 2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide?
The canonical SMILES for 2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide is C=C(NNC(=O)COc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide?
The InChIKey is WOJFXLHDWSKVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c1-11(12-3-2-4-14(9-12)20(22)23)18-19-16(21)10-24-15-7-5-13(17)6-8-15/h2-9,18H,1,10H2,(H,19,21).
What are the key properties of 2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide?
2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide has a molecular weight of 347.76 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide is sourced from PubChem (CID 4090907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).