2-(2-chlorophenoxy)-N'-[1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]acetohydrazide

C12H12ClN7O4 — CID 4202147

IUPAC2-(2-chlorophenoxy)-N'-[1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]acetohydrazide
SMILESCC(=Cn1nnc([N+](=O)[O-])n1)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C12H12ClN7O4/c1-8(6-19-17-12(16-18-19)20(22)23)14-15-11(21)7-24-10-5-3-2-4-9(10)13/h2-6,14H,7H2,1H3,(H,15,21)
InChIKeyONKCLJDYRVVDTC-UHFFFAOYSA-N
MW353.73 g/mol
LogP0.75
Rot. Bonds7

About 2-(2-chlorophenoxy)-N'-[1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]acetohydrazide

2-(2-chlorophenoxy)-N'-[1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]acetohydrazide (PubChem CID 4202147) has the molecular formula C12H12ClN7O4 and a molecular weight of 353.73 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N'-[1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]acetohydrazide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N'-[1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]acetohydrazide
PubChem CID4202147
Molecular FormulaC12H12ClN7O4
Molecular Weight353.73 g/mol
Exact Mass353.06
IUPAC Name2-(2-chlorophenoxy)-N'-[1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]acetohydrazide
SMILESCC(=Cn1nnc([N+](=O)[O-])n1)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C12H12ClN7O4/c1-8(6-19-17-12(16-18-19)20(22)23)14-15-11(21)7-24-10-5-3-2-4-9(10)13/h2-6,14H,7H2,1H3,(H,15,21)
InChIKeyONKCLJDYRVVDTC-UHFFFAOYSA-N
XLogP0.75
TPSA137.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.73
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N'-[1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]acetohydrazide?
The IUPAC name of 2-(2-chlorophenoxy)-N'-[1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]acetohydrazide (CID 4202147) is 2-(2-chlorophenoxy)-N'-[1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]acetohydrazide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N'-[1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]acetohydrazide?
The canonical SMILES for 2-(2-chlorophenoxy)-N'-[1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]acetohydrazide is CC(=Cn1nnc([N+](=O)[O-])n1)NNC(=O)COc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N'-[1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]acetohydrazide?
The InChIKey is ONKCLJDYRVVDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN7O4/c1-8(6-19-17-12(16-18-19)20(22)23)14-15-11(21)7-24-10-5-3-2-4-9(10)13/h2-6,14H,7H2,1H3,(H,15,21).
What are the key properties of 2-(2-chlorophenoxy)-N'-[1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]acetohydrazide?
2-(2-chlorophenoxy)-N'-[1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]acetohydrazide has a molecular weight of 353.73 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N'-[1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]acetohydrazide is sourced from PubChem (CID 4202147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).