N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide

C18H18N4O4 — CID 9279009

IUPACN'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
SMILESO=C(NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1
InChIInChI=1S/C18H18N4O4/c23-17(13-6-2-1-3-7-13)19-20-18(24)15-12-14(22(25)26)8-9-16(15)21-10-4-5-11-21/h1-3,6-9,12H,4-5,10-11H2,(H,19,23)(H,20,24)
InChIKeyGSMYPULTTUDKOM-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.27
Rot. Bonds4

About N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide

N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide (PubChem CID 9279009) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
PubChem CID9279009
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
SMILESO=C(NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1
InChIInChI=1S/C18H18N4O4/c23-17(13-6-2-1-3-7-13)19-20-18(24)15-12-14(22(25)26)8-9-16(15)21-10-4-5-11-21/h1-3,6-9,12H,4-5,10-11H2,(H,19,23)(H,20,24)
InChIKeyGSMYPULTTUDKOM-UHFFFAOYSA-N
XLogP2.27
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
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'-[3-(dimethylamino)benzoyl]-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
CID 29366071
N'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
CID 9272405
N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
CID 2966063
N'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide
CID 9303539
2-(4-benzoylpiperazin-1-yl)-N-methyl-5-nitrobenzamide
CID 87020739
N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide
CID 3351512
N-naphthalen-2-yl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 9068527
N-(2-bromophenyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 26913690
5-nitro-N-(2-phenylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 55337765
N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide
CID 2824719
5-nitro-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 60556393
N-cyclooctyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 56777624

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide?
The IUPAC name of N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide (CID 9279009) is N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide.
What is the SMILES notation for N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide?
The canonical SMILES for N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide is O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1.
What is the InChIKey of N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide?
The InChIKey is GSMYPULTTUDKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-17(13-6-2-1-3-7-13)19-20-18(24)15-12-14(22(25)26)8-9-16(15)21-10-4-5-11-21/h1-3,6-9,12H,4-5,10-11H2,(H,19,23)(H,20,24).
What are the key properties of N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide?
N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide has a molecular weight of 354.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide is sourced from PubChem (CID 9279009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).