N'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide

C18H20N4O3 — CID 9303539

IUPACN'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide
SMILESCN(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1
InChIInChI=1S/C18H20N4O3/c1-20(14-7-3-2-4-8-14)19-18(23)16-13-15(22(24)25)9-10-17(16)21-11-5-6-12-21/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,19,23)
InChIKeySUOFNFJXEJJGFC-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.98
Rot. Bonds5

About N'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide

N'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide (PubChem CID 9303539) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide
PubChem CID9303539
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide
SMILESCN(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1
InChIInChI=1S/C18H20N4O3/c1-20(14-7-3-2-4-8-14)19-18(23)16-13-15(22(24)25)9-10-17(16)21-11-5-6-12-21/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,19,23)
InChIKeySUOFNFJXEJJGFC-UHFFFAOYSA-N
XLogP2.98
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
CID 9279009
N'-[3-(dimethylamino)benzoyl]-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
CID 29366071
5-nitro-N-(2-phenylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 55337765
2-(azepan-1-yl)-N-(3-methylphenyl)-5-nitrobenzamide
CID 2948692
N-(2-bromophenyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 26913690
N-naphthalen-2-yl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 9068527
2-methyl-3-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoic acid
CID 28674273
N-cyclooctyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 56777624
N-(2-hydroxypropyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 78800109
N,N-diethyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 102603226
N'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
CID 9272405
2-(4-benzoylpiperazin-1-yl)-N-methyl-5-nitrobenzamide
CID 87020739

Frequently Asked Questions

What is the IUPAC name of N'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide?
The IUPAC name of N'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide (CID 9303539) is N'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide.
What is the SMILES notation for N'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide?
The canonical SMILES for N'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide is CN(NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1.
What is the InChIKey of N'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide?
The InChIKey is SUOFNFJXEJJGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-20(14-7-3-2-4-8-14)19-18(23)16-13-15(22(24)25)9-10-17(16)21-11-5-6-12-21/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,19,23).
What are the key properties of N'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide?
N'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide has a molecular weight of 340.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide is sourced from PubChem (CID 9303539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).