N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide

C17H17BrN2O5 — CID 7921241

IUPACN'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)COc2cccc(Br)c2)c1
InChIInChI=1S/C17H17BrN2O5/c1-23-14-6-11(7-15(9-14)24-2)17(22)20-19-16(21)10-25-13-5-3-4-12(18)8-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCGBADSGFBIRJLY-UHFFFAOYSA-N
MW409.24 g/mol
LogP2.31
Rot. Bonds6

About N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide

N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide (PubChem CID 7921241) has the molecular formula C17H17BrN2O5 and a molecular weight of 409.24 g/mol. Its IUPAC name is N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
PubChem CID7921241
Molecular FormulaC17H17BrN2O5
Molecular Weight409.24 g/mol
Exact Mass408.03
IUPAC NameN'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)COc2cccc(Br)c2)c1
InChIInChI=1S/C17H17BrN2O5/c1-23-14-6-11(7-15(9-14)24-2)17(22)20-19-16(21)10-25-13-5-3-4-12(18)8-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCGBADSGFBIRJLY-UHFFFAOYSA-N
XLogP2.31
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide
CID 3117674
N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
CID 2710688
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
N'-[2-(3-methoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 17386186
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694609
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide
CID 35933556
N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide
CID 2382990
3,5-dimethoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
CID 38737983
N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140443
3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide?
The IUPAC name of N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide (CID 7921241) is N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)COc2cccc(Br)c2)c1.
What is the InChIKey of N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide?
The InChIKey is CGBADSGFBIRJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O5/c1-23-14-6-11(7-15(9-14)24-2)17(22)20-19-16(21)10-25-13-5-3-4-12(18)8-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide?
N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide has a molecular weight of 409.24 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide is sourced from PubChem (CID 7921241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).