ethyl 3-(2-fluorophenyl)-2-[(4-nitrophenyl)hydrazinylidene]propanoate

C17H16FN3O4 — CID 88824305

IUPACethyl 3-(2-fluorophenyl)-2-[(4-nitrophenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)C(Cc1ccccc1F)=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16FN3O4/c1-2-25-17(22)16(11-12-5-3-4-6-15(12)18)20-19-13-7-9-14(10-8-13)21(23)24/h3-10,19H,2,11H2,1H3
InChIKeyBDNGRAGMQIEDGR-UHFFFAOYSA-N
MW345.33 g/mol
LogP3.31
Rot. Bonds7

About ethyl 3-(2-fluorophenyl)-2-[(4-nitrophenyl)hydrazinylidene]propanoate

ethyl 3-(2-fluorophenyl)-2-[(4-nitrophenyl)hydrazinylidene]propanoate (PubChem CID 88824305) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is ethyl 3-(2-fluorophenyl)-2-[(4-nitrophenyl)hydrazinylidene]propanoate.

Molecular Properties

Compound Nameethyl 3-(2-fluorophenyl)-2-[(4-nitrophenyl)hydrazinylidene]propanoate
PubChem CID88824305
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC Nameethyl 3-(2-fluorophenyl)-2-[(4-nitrophenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)C(Cc1ccccc1F)=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16FN3O4/c1-2-25-17(22)16(11-12-5-3-4-6-15(12)18)20-19-13-7-9-14(10-8-13)21(23)24/h3-10,19H,2,11H2,1H3
InChIKeyBDNGRAGMQIEDGR-UHFFFAOYSA-N
XLogP3.31
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 ethyl 3-(2-fluorophenyl)-2-[(4-nitrophenyl)hydrazinylidene]propanoate?
The IUPAC name of ethyl 3-(2-fluorophenyl)-2-[(4-nitrophenyl)hydrazinylidene]propanoate (CID 88824305) is ethyl 3-(2-fluorophenyl)-2-[(4-nitrophenyl)hydrazinylidene]propanoate.
What is the SMILES notation for ethyl 3-(2-fluorophenyl)-2-[(4-nitrophenyl)hydrazinylidene]propanoate?
The canonical SMILES for ethyl 3-(2-fluorophenyl)-2-[(4-nitrophenyl)hydrazinylidene]propanoate is CCOC(=O)C(Cc1ccccc1F)=NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of ethyl 3-(2-fluorophenyl)-2-[(4-nitrophenyl)hydrazinylidene]propanoate?
The InChIKey is BDNGRAGMQIEDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-2-25-17(22)16(11-12-5-3-4-6-15(12)18)20-19-13-7-9-14(10-8-13)21(23)24/h3-10,19H,2,11H2,1H3.
What are the key properties of ethyl 3-(2-fluorophenyl)-2-[(4-nitrophenyl)hydrazinylidene]propanoate?
ethyl 3-(2-fluorophenyl)-2-[(4-nitrophenyl)hydrazinylidene]propanoate has a molecular weight of 345.33 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluorophenyl)-2-[(4-nitrophenyl)hydrazinylidene]propanoate is sourced from PubChem (CID 88824305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).