4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide

C16H16N4O4 — CID 9150351

IUPAC4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide
SMILESCNc1ccc(C(=O)NNC(=O)c2ccccc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16N4O4/c1-10-5-3-4-6-12(10)16(22)19-18-15(21)11-7-8-13(17-2)14(9-11)20(23)24/h3-9,17H,1-2H3,(H,18,21)(H,19,22)
InChIKeyUFTSAFYKHQRGDO-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.02
Rot. Bonds4

About 4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide

4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide (PubChem CID 9150351) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide.

Molecular Properties

Compound Name4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide
PubChem CID9150351
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide
SMILESCNc1ccc(C(=O)NNC(=O)c2ccccc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16N4O4/c1-10-5-3-4-6-12(10)16(22)19-18-15(21)11-7-8-13(17-2)14(9-11)20(23)24/h3-9,17H,1-2H3,(H,18,21)(H,19,22)
InChIKeyUFTSAFYKHQRGDO-UHFFFAOYSA-N
XLogP2.02
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.02
H-Bond Donors ≤ 53
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

4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide
CID 9157370
2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide
CID 9156552
N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide
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2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
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4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 9341535
N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
CID 99997717
3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide
CID 46520515
4-(methylamino)-3-nitro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 46652855
(3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone
CID 11391183
3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide
CID 920964
4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 24658307

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide?
The IUPAC name of 4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide (CID 9150351) is 4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide.
What is the SMILES notation for 4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide?
The canonical SMILES for 4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide is CNc1ccc(C(=O)NNC(=O)c2ccccc2C)cc1[N+](=O)[O-].
What is the InChIKey of 4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide?
The InChIKey is UFTSAFYKHQRGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-10-5-3-4-6-12(10)16(22)19-18-15(21)11-7-8-13(17-2)14(9-11)20(23)24/h3-9,17H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide?
4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide has a molecular weight of 328.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide is sourced from PubChem (CID 9150351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).