N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide

C16H15N3O5 — CID 4951406

IUPACN'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C16H15N3O5/c1-11(24-14-9-7-13(8-10-14)19(22)23)15(20)17-18-16(21)12-5-3-2-4-6-12/h2-11H,1H3,(H,17,20)(H,18,21)
InChIKeyZFXIFBATGDRMCD-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.82
Rot. Bonds5

About N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide

N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide (PubChem CID 4951406) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide
PubChem CID4951406
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C16H15N3O5/c1-11(24-14-9-7-13(8-10-14)19(22)23)15(20)17-18-16(21)12-5-3-2-4-6-12/h2-11H,1H3,(H,17,20)(H,18,21)
InChIKeyZFXIFBATGDRMCD-UHFFFAOYSA-N
XLogP1.82
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.82
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

N'-[(2R)-2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 8864494
N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide
CID 4951357
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
CID 8954475
N'-[(2S)-2-(4-tert-butylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 8573555
N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 4931669
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide
CID 3631499
4-methyl-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
CID 4951976
(2S)-2-(4-nitrophenoxy)propanoic acid
CID 7922614
2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 4951327
N-benzyl-4-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43887414
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide?
The IUPAC name of N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide (CID 4951406) is N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide is CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide?
The InChIKey is ZFXIFBATGDRMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-11(24-14-9-7-13(8-10-14)19(22)23)15(20)17-18-16(21)12-5-3-2-4-6-12/h2-11H,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide?
N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide has a molecular weight of 329.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 4951406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).