2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide

C22H22BrN3O3 — CID 169386318

IUPAC2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide
SMILESCOc1cc(CNNc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C22H22BrN3O3/c1-28-20-13-16(14-24-26-18-10-6-3-7-11-18)12-19(23)22(20)29-15-21(27)25-17-8-4-2-5-9-17/h2-13,24,26H,14-15H2,1H3,(H,25,27)
InChIKeyMTMSGMVHPOQGRZ-UHFFFAOYSA-N
MW456.34 g/mol
LogP4.59
Rot. Bonds9

About 2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide

2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide (PubChem CID 169386318) has the molecular formula C22H22BrN3O3 and a molecular weight of 456.34 g/mol. Its IUPAC name is 2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide
PubChem CID169386318
Molecular FormulaC22H22BrN3O3
Molecular Weight456.34 g/mol
Exact Mass455.08
IUPAC Name2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide
SMILESCOc1cc(CNNc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C22H22BrN3O3/c1-28-20-13-16(14-24-26-18-10-6-3-7-11-18)12-19(23)22(20)29-15-21(27)25-17-8-4-2-5-9-17/h2-13,24,26H,14-15H2,1H3,(H,25,27)
InChIKeyMTMSGMVHPOQGRZ-UHFFFAOYSA-N
XLogP4.59
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6-dimethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetic acid
CID 169385803
2-[2-bromo-6-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539242
[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenyl] benzoate
CID 169386305
2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
CID 126265061
2-[[3-bromo-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]propanoic acid
CID 66528291
methyl 2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate
CID 169386451
2-[2-bromo-4-[[[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 51987236
2-[2-bromo-4-[(3,4-dimethylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539260
1-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386308
2-[4-(anilinomethyl)-2-bromo-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539473
2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126262765
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 45371704

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide (CID 169386318) is 2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide is COc1cc(CNNc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide?
The InChIKey is MTMSGMVHPOQGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O3/c1-28-20-13-16(14-24-26-18-10-6-3-7-11-18)12-19(23)22(20)29-15-21(27)25-17-8-4-2-5-9-17/h2-13,24,26H,14-15H2,1H3,(H,25,27).
What are the key properties of 2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide?
2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide has a molecular weight of 456.34 g/mol, XLogP of 4.59, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 169386318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).