2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide

C15H15N3O3 — CID 17397799

IUPAC2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide
SMILESCc1ccc(C)c(C(=O)NNc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O3/c1-10-7-8-11(2)12(9-10)15(19)17-16-13-5-3-4-6-14(13)18(20)21/h3-9,16H,1-2H3,(H,17,19)
InChIKeyAMJLRUCYWQULLF-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.97
Rot. Bonds4

About 2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide

2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide (PubChem CID 17397799) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide
PubChem CID17397799
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide
SMILESCc1ccc(C)c(C(=O)NNc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O3/c1-10-7-8-11(2)12(9-10)15(19)17-16-13-5-3-4-6-14(13)18(20)21/h3-9,16H,1-2H3,(H,17,19)
InChIKeyAMJLRUCYWQULLF-UHFFFAOYSA-N
XLogP2.97
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.97
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-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline
CID 9059030
N'-(2-nitrophenyl)benzohydrazide
CID 3718054
N'-(3-methylphenyl)-2-nitrobenzohydrazide
CID 141479150
5-fluoro-2-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29410018
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
5-fluoro-2-methyl-N-[2-(2-nitroanilino)ethyl]benzamide
CID 36937734
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920
N',2,5-trimethylbenzohydrazide
CID 116846828
2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535258
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide
CID 55363553
2-methyl-5-(methylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]benzamide
CID 55489558
N'-[6-(2-methylanilino)-5-nitropyrimidin-4-yl]-2-nitrobenzohydrazide
CID 22531933

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide?
The IUPAC name of 2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide (CID 17397799) is 2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide is Cc1ccc(C)c(C(=O)NNc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide?
The InChIKey is AMJLRUCYWQULLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-7-8-11(2)12(9-10)15(19)17-16-13-5-3-4-6-14(13)18(20)21/h3-9,16H,1-2H3,(H,17,19).
What are the key properties of 2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide?
2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide has a molecular weight of 285.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-(2-nitrophenyl)benzohydrazide is sourced from PubChem (CID 17397799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).