N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide

C15H12FN3O5 — CID 7434007

IUPACN'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12FN3O5/c16-12-6-1-2-7-13(12)24-9-14(20)17-18-15(21)10-4-3-5-11(8-10)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyKCWPKXWTRILDPP-UHFFFAOYSA-N
MW333.28 g/mol
LogP1.57
Rot. Bonds5

About N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide

N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide (PubChem CID 7434007) has the molecular formula C15H12FN3O5 and a molecular weight of 333.28 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
PubChem CID7434007
Molecular FormulaC15H12FN3O5
Molecular Weight333.28 g/mol
Exact Mass333.08
IUPAC NameN'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12FN3O5/c16-12-6-1-2-7-13(12)24-9-14(20)17-18-15(21)10-4-3-5-11(8-10)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyKCWPKXWTRILDPP-UHFFFAOYSA-N
XLogP1.57
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 51.57
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

2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone
CID 43232239
3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 5089126
2-(2-fluorophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 7934903
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842173
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide
CID 3267740
4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
CID 86977027
4-(cyclopropylamino)-N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 9158207
N-[5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
CID 3148817
N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide
CID 7434030
N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-3-nitrobenzohydrazide
CID 9333373
N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide
CID 17357857

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide (CID 7434007) is N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide is O=C(COc1ccccc1F)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide?
The InChIKey is KCWPKXWTRILDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O5/c16-12-6-1-2-7-13(12)24-9-14(20)17-18-15(21)10-4-3-5-11(8-10)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21).
What are the key properties of N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide?
N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide has a molecular weight of 333.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 7434007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).