N'-(2-bromobenzoyl)-3,5-dimethoxybenzohydrazide

C16H15BrN2O4 — CID 2302183

IUPACN'-(2-bromobenzoyl)-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C16H15BrN2O4/c1-22-11-7-10(8-12(9-11)23-2)15(20)18-19-16(21)13-5-3-4-6-14(13)17/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyXJOABTVJPIWOPB-UHFFFAOYSA-N
MW379.21 g/mol
LogP2.54
Rot. Bonds4

About N'-(2-bromobenzoyl)-3,5-dimethoxybenzohydrazide

N'-(2-bromobenzoyl)-3,5-dimethoxybenzohydrazide (PubChem CID 2302183) has the molecular formula C16H15BrN2O4 and a molecular weight of 379.21 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-3,5-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-3,5-dimethoxybenzohydrazide
PubChem CID2302183
Molecular FormulaC16H15BrN2O4
Molecular Weight379.21 g/mol
Exact Mass378.02
IUPAC NameN'-(2-bromobenzoyl)-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C16H15BrN2O4/c1-22-11-7-10(8-12(9-11)23-2)15(20)18-19-16(21)13-5-3-4-6-14(13)17/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyXJOABTVJPIWOPB-UHFFFAOYSA-N
XLogP2.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Benzoyl-2-(3-methoxybenzoyl)hydrazine
CID 252264
3,5-Dimethoxybenzohydrazide
CID 352312
N'-cinnamoyl-3-methoxybenzohydrazide
CID 795407
N'-(3,5-Dimethoxybenzoyl)-3-phenylpropanehydrazide
CID 846324
4-bromo-N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4789098
N'-(cyclopentanecarbonyl)-3,5-dimethoxybenzohydrazide
CID 5134175
2-bromo-N'-(3-methoxybenzoyl)benzohydrazide
CID 795259
2-Methoxy-benzoic acid N'-(2-bromo-benzoyl)-hydrazide
CID 790060
N-[(2S)-1-[2-(4-bromobenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 2117254
4-bromo-N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 4787666
3,5-dimethoxy-N'-(4-phenoxybutanoyl)benzohydrazide
CID 2089093
N'-[3-(3-bromophenoxy)propanoyl]-3,4,5-trimethoxybenzohydrazide
CID 2501843

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-3,5-dimethoxybenzohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-3,5-dimethoxybenzohydrazide (CID 2302183) is N'-(2-bromobenzoyl)-3,5-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-3,5-dimethoxybenzohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-3,5-dimethoxybenzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)c2ccccc2Br)c1.
What is the InChIKey of N'-(2-bromobenzoyl)-3,5-dimethoxybenzohydrazide?
The InChIKey is XJOABTVJPIWOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O4/c1-22-11-7-10(8-12(9-11)23-2)15(20)18-19-16(21)13-5-3-4-6-14(13)17/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2-bromobenzoyl)-3,5-dimethoxybenzohydrazide?
N'-(2-bromobenzoyl)-3,5-dimethoxybenzohydrazide has a molecular weight of 379.21 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-3,5-dimethoxybenzohydrazide is sourced from PubChem (CID 2302183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).