3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide

C16H15N3O4 — CID 46520515

IUPAC3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1cccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O4/c1-10-6-3-4-8-12(10)15(20)17-18-16(21)13-9-5-7-11(2)14(13)19(22)23/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyRQKBIRQWNAXHLJ-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.29
Rot. Bonds3

About 3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide

3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide (PubChem CID 46520515) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide.

Molecular Properties

Compound Name3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide
PubChem CID46520515
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1cccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O4/c1-10-6-3-4-8-12(10)15(20)17-18-16(21)13-9-5-7-11(2)14(13)19(22)23/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyRQKBIRQWNAXHLJ-UHFFFAOYSA-N
XLogP2.29
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.29
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

N'-tert-butyl-3-methyl-2-nitrobenzohydrazide
CID 141375033
N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
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2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
N-(1-amino-2-methylpropan-2-yl)-3-methyl-2-nitrobenzamide
CID 63193492
1-[(3-methyl-2-nitrobenzoyl)amino]-3-(2-methylprop-2-enyl)thiourea
CID 3394813
silver 3-methyl-2-nitrobenzoate
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3-methyl-2-nitro-N-(2,4,6-trimethylphenyl)benzamide
CID 4255599
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methyl-2-nitrobenzamide
CID 107846757
N-cyclopentyl-3-methyl-2-nitrobenzamide
CID 890353
2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535258
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-nitrobenzamide
CID 110902393
3-methyl-N-[2-(methylamino)propyl]-2-nitrobenzamide;hydrochloride
CID 120828085

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide?
The IUPAC name of 3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide (CID 46520515) is 3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide.
What is the SMILES notation for 3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide?
The canonical SMILES for 3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide is Cc1ccccc1C(=O)NNC(=O)c1cccc(C)c1[N+](=O)[O-].
What is the InChIKey of 3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide?
The InChIKey is RQKBIRQWNAXHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10-6-3-4-8-12(10)15(20)17-18-16(21)13-9-5-7-11(2)14(13)19(22)23/h3-9H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide?
3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide has a molecular weight of 313.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide is sourced from PubChem (CID 46520515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).