N-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide

C16H14N4O5 — CID 54400457

IUPACN-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)NN
InChIInChI=1S/C16H14N4O5/c1-9(21)13-7-4-11(8-14(13)16(23)19-17)18-15(22)10-2-5-12(6-3-10)20(24)25/h2-8H,17H2,1H3,(H,18,22)(H,19,23)
InChIKeyVNBJEFQSBZSAEU-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.65
Rot. Bonds5

About N-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide

N-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide (PubChem CID 54400457) has the molecular formula C16H14N4O5 and a molecular weight of 342.31 g/mol. Its IUPAC name is N-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide
PubChem CID54400457
Molecular FormulaC16H14N4O5
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC NameN-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)NN
InChIInChI=1S/C16H14N4O5/c1-9(21)13-7-4-11(8-14(13)16(23)19-17)18-15(22)10-2-5-12(6-3-10)20(24)25/h2-8H,17H2,1H3,(H,18,22)(H,19,23)
InChIKeyVNBJEFQSBZSAEU-UHFFFAOYSA-N
XLogP1.65
TPSA144.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-methylphenyl)-4-nitrobenzamide
CID 147874410
2-chloro-5-[(4-nitrobenzoyl)amino]benzoate
CID 7473349
4-nitrobenzohydrazide;hydrochloride
CID 172718286
N-(3,4-dinitrophenyl)-4-nitrobenzamide
CID 5185042
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
4-(ethylamino)-N-(4-nitrophenyl)benzamide
CID 62165605
4-(aminomethyl)-N-(4-nitrophenyl)benzamide
CID 43426870
ethyl 4-[(4-nitrobenzoyl)amino]benzoate
CID 744546
N-(3-amino-4-fluorophenyl)-4-nitrobenzamide
CID 63257606
N-(3,5-dimethylphenyl)-4-nitrobenzamide
CID 2843294
4-nitro-N-[6-[(4-nitrobenzoyl)amino]-9,10-dioxoanthracen-2-yl]benzamide
CID 5207304
N-[3-(aminomethyl)phenyl]-4-nitrobenzamide
CID 63254682

Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide?
The IUPAC name of N-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide (CID 54400457) is N-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide is CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)NN.
What is the InChIKey of N-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide?
The InChIKey is VNBJEFQSBZSAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5/c1-9(21)13-7-4-11(8-14(13)16(23)19-17)18-15(22)10-2-5-12(6-3-10)20(24)25/h2-8H,17H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide?
N-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide has a molecular weight of 342.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide is sourced from PubChem (CID 54400457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).