N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide

C16H15N3O5 — CID 4635905

IUPACN'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H15N3O5/c1-11-3-2-4-14(9-11)24-10-15(20)17-18-16(21)12-5-7-13(8-6-12)19(22)23/h2-9H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyJFJQBGYGZCKYFC-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.74
Rot. Bonds5

About N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide

N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide (PubChem CID 4635905) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
PubChem CID4635905
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H15N3O5/c1-11-3-2-4-14(9-11)24-10-15(20)17-18-16(21)12-5-7-13(8-6-12)19(22)23/h2-9H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyJFJQBGYGZCKYFC-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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

3-methoxy-N'-[(4-nitrophenyl)acetyl]benzohydrazide
CID 795417
4-methoxy-N'-[(4-nitrophenyl)acetyl]benzohydrazide
CID 795623
N-[4-({2-[(3-methylphenoxy)acetyl]hydrazino}carbonyl)phenyl]propanamide
CID 1010721
4-Nitro-benzoic acid N'-[2-(naphthalen-2-yloxy)-acetyl]-hydrazide
CID 3108612
N'-(3-nitrobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 4115663
N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-4-nitrobenzamide
CID 4437664
[2-[2-(4-Nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 24983146
N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 90643724
N'-[(4-nitrophenoxy)acetyl]-3-phenylpropanehydrazide
CID 1581799
[2-[2-(4-Nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 24981660
N-[4-({2-[(2,5-dimethylphenoxy)acetyl]hydrazino}carbonyl)phenyl]propanamide
CID 1013803
N-[4-({2-[(2,5-dimethylphenoxy)acetyl]hydrazino}carbonyl)phenyl]cyclopropanecarboxamide
CID 1013895

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide?
The IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide (CID 4635905) is N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide is Cc1cccc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide?
The InChIKey is JFJQBGYGZCKYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-11-3-2-4-14(9-11)24-10-15(20)17-18-16(21)12-5-7-13(8-6-12)19(22)23/h2-9H,10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide?
N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide has a molecular weight of 329.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 4635905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).