N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide

C15H12FN3O4 — CID 26786259

IUPACN'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12FN3O4/c16-11-7-5-10(6-8-11)9-14(20)17-18-15(21)12-3-1-2-4-13(12)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyAKEGTSMQQQBVQP-UHFFFAOYSA-N
MW317.28 g/mol
LogP1.74
Rot. Bonds4

About N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide

N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide (PubChem CID 26786259) has the molecular formula C15H12FN3O4 and a molecular weight of 317.28 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide
PubChem CID26786259
Molecular FormulaC15H12FN3O4
Molecular Weight317.28 g/mol
Exact Mass317.08
IUPAC NameN'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12FN3O4/c16-11-7-5-10(6-8-11)9-14(20)17-18-15(21)12-3-1-2-4-13(12)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyAKEGTSMQQQBVQP-UHFFFAOYSA-N
XLogP1.74
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide
CID 17385895
[(2-nitrobenzoyl)amino]urea
CID 61061190
5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid
CID 4949721
N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
CID 3284801
[(2-nitrobenzoyl)amino]thiourea
CID 65216747
4-(difluoromethoxy)-N'-[2-(4-fluorophenyl)acetyl]-5-methoxy-2-nitrobenzohydrazide
CID 34569772
N'-[2-(4-fluorophenyl)acetyl]-3-hydroxynaphthalene-2-carbohydrazide
CID 31725615
5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide
CID 5121277
4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 7946066
2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 4512739
N-[(2-fluorophenyl)methyl]-2-nitrobenzamide
CID 7924688
N'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide
CID 26656905

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide?
The IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide (CID 26786259) is N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide is O=C(Cc1ccc(F)cc1)NNC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide?
The InChIKey is AKEGTSMQQQBVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O4/c16-11-7-5-10(6-8-11)9-14(20)17-18-15(21)12-3-1-2-4-13(12)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21).
What are the key properties of N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide?
N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide has a molecular weight of 317.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide is sourced from PubChem (CID 26786259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).