4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide

C15H11BrFN3O5 — CID 26920313

IUPAC4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C15H11BrFN3O5/c16-9-5-6-10(11(17)7-9)15(22)19-18-14(21)8-25-13-4-2-1-3-12(13)20(23)24/h1-7H,8H2,(H,18,21)(H,19,22)
InChIKeySDIIJGRUZUFLDZ-UHFFFAOYSA-N
MW412.17 g/mol
LogP2.34
Rot. Bonds5

About 4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide

4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide (PubChem CID 26920313) has the molecular formula C15H11BrFN3O5 and a molecular weight of 412.17 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
PubChem CID26920313
Molecular FormulaC15H11BrFN3O5
Molecular Weight412.17 g/mol
Exact Mass410.99
IUPAC Name4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C15H11BrFN3O5/c16-9-5-6-10(11(17)7-9)15(22)19-18-14(21)8-25-13-4-2-1-3-12(13)20(23)24/h1-7H,8H2,(H,18,21)(H,19,22)
InChIKeySDIIJGRUZUFLDZ-UHFFFAOYSA-N
XLogP2.34
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.17
LogP ≤ 52.34
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

4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 7946066
2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26247019
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-nitrophenoxy)acetamide
CID 55857646
N-(2,5-dibromophenyl)-2-(2-nitrophenoxy)acetamide
CID 39166885
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27693652
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 4931330
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7038077
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26887625
5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide
CID 17351738
1-(3-bromophenyl)-2-(2-nitrophenoxy)ethanone
CID 7503868
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931158

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide (CID 26920313) is 4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide is O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The InChIKey is SDIIJGRUZUFLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O5/c16-9-5-6-10(11(17)7-9)15(22)19-18-14(21)8-25-13-4-2-1-3-12(13)20(23)24/h1-7H,8H2,(H,18,21)(H,19,22).
What are the key properties of 4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide has a molecular weight of 412.17 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 26920313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).