3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide

C15H12BrN3O5 — CID 4654337

IUPAC3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br
InChIInChI=1S/C15H12BrN3O5/c1-24-13-6-5-10(8-12(13)16)15(21)18-17-14(20)9-3-2-4-11(7-9)19(22)23/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyDFFZIKXXKVEGAV-UHFFFAOYSA-N
MW394.18 g/mol
LogP2.44
Rot. Bonds4

About 3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide

3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide (PubChem CID 4654337) has the molecular formula C15H12BrN3O5 and a molecular weight of 394.18 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide
PubChem CID4654337
Molecular FormulaC15H12BrN3O5
Molecular Weight394.18 g/mol
Exact Mass393.00
IUPAC Name3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br
InChIInChI=1S/C15H12BrN3O5/c1-24-13-6-5-10(8-12(13)16)15(21)18-17-14(20)9-3-2-4-11(7-9)19(22)23/h2-8H,1H3,(H,17,20)(H,18,21)
InChIKeyDFFZIKXXKVEGAV-UHFFFAOYSA-N
XLogP2.44
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.18
LogP ≤ 52.44
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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Related Compounds

3-bromo-N-[[(3-nitrobenzoyl)amino]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17356111
5-bromo-2-methoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide
CID 17094668
2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 27663032
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
N-(3-bromo-4-methoxyphenyl)-3,5-dinitrobenzamide
CID 3548718
2-(2-bromo-4-methylphenoxy)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]acetamide
CID 4503735
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230
N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 55704286

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide?
The IUPAC name of 3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide (CID 4654337) is 3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide is COc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide?
The InChIKey is DFFZIKXXKVEGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O5/c1-24-13-6-5-10(8-12(13)16)15(21)18-17-14(20)9-3-2-4-11(7-9)19(22)23/h2-8H,1H3,(H,17,20)(H,18,21).
What are the key properties of 3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide?
3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide has a molecular weight of 394.18 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 4654337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).