2-methyl-N'-(4-nitrobenzoyl)benzohydrazide

C15H13N3O4 — CID 3762572

IUPAC2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O4/c1-10-4-2-3-5-13(10)15(20)17-16-14(19)11-6-8-12(9-7-11)18(21)22/h2-9H,1H3,(H,16,19)(H,17,20)
InChIKeyQDRHSQXTOBBZEU-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.98
Rot. Bonds3

About 2-methyl-N'-(4-nitrobenzoyl)benzohydrazide

2-methyl-N'-(4-nitrobenzoyl)benzohydrazide (PubChem CID 3762572) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-methyl-N'-(4-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
PubChem CID3762572
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O4/c1-10-4-2-3-5-13(10)15(20)17-16-14(19)11-6-8-12(9-7-11)18(21)22/h2-9H,1H3,(H,16,19)(H,17,20)
InChIKeyQDRHSQXTOBBZEU-UHFFFAOYSA-N
XLogP1.98
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.98
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-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3393738
3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide
CID 46520515
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide
CID 9150351
N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314775
4-chloro-N-[2-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126001785
N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126001886
3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3985310
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 4503208
N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 4931669
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134
3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid
CID 2866795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(4-nitrobenzoyl)benzohydrazide?
The IUPAC name of 2-methyl-N'-(4-nitrobenzoyl)benzohydrazide (CID 3762572) is 2-methyl-N'-(4-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 2-methyl-N'-(4-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 2-methyl-N'-(4-nitrobenzoyl)benzohydrazide is Cc1ccccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-N'-(4-nitrobenzoyl)benzohydrazide?
The InChIKey is QDRHSQXTOBBZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-10-4-2-3-5-13(10)15(20)17-16-14(19)11-6-8-12(9-7-11)18(21)22/h2-9H,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-methyl-N'-(4-nitrobenzoyl)benzohydrazide?
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide has a molecular weight of 299.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(4-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 3762572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).