2-methoxy-N'-(3-nitrobenzoyl)benzohydrazide

C15H13N3O5 — CID 3117665

IUPAC2-methoxy-N'-(3-nitrobenzoyl)benzohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13N3O5/c1-23-13-8-3-2-7-12(13)15(20)17-16-14(19)10-5-4-6-11(9-10)18(21)22/h2-9H,1H3,(H,16,19)(H,17,20)
InChIKeyAUKNEJNMYFXRPE-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.68
Rot. Bonds4

About 2-methoxy-N'-(3-nitrobenzoyl)benzohydrazide

2-methoxy-N'-(3-nitrobenzoyl)benzohydrazide (PubChem CID 3117665) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-methoxy-N'-(3-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-methoxy-N'-(3-nitrobenzoyl)benzohydrazide
PubChem CID3117665
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name2-methoxy-N'-(3-nitrobenzoyl)benzohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13N3O5/c1-23-13-8-3-2-7-12(13)15(20)17-16-14(19)10-5-4-6-11(9-10)18(21)22/h2-9H,1H3,(H,16,19)(H,17,20)
InChIKeyAUKNEJNMYFXRPE-UHFFFAOYSA-N
XLogP1.68
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-(3-nitrobenzoyl)benzohydrazide?
The IUPAC name of 2-methoxy-N'-(3-nitrobenzoyl)benzohydrazide (CID 3117665) is 2-methoxy-N'-(3-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 2-methoxy-N'-(3-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 2-methoxy-N'-(3-nitrobenzoyl)benzohydrazide is COc1ccccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-methoxy-N'-(3-nitrobenzoyl)benzohydrazide?
The InChIKey is AUKNEJNMYFXRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c1-23-13-8-3-2-7-12(13)15(20)17-16-14(19)10-5-4-6-11(9-10)18(21)22/h2-9H,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-methoxy-N'-(3-nitrobenzoyl)benzohydrazide?
2-methoxy-N'-(3-nitrobenzoyl)benzohydrazide has a molecular weight of 315.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(3-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 3117665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).