[4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate

C19H18BrN3O5 — CID 3503807

IUPAC[4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(C=NNC(=O)CNC(=O)c2ccccc2Br)ccc1OC(C)=O
InChIInChI=1S/C19H18BrN3O5/c1-12(24)28-16-8-7-13(9-17(16)27-2)10-22-23-18(25)11-21-19(26)14-5-3-4-6-15(14)20/h3-10H,11H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyOGBMNRNQZZOPET-UHFFFAOYSA-N
MW448.27 g/mol
LogP2.26
Rot. Bonds7

About [4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate

[4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate (PubChem CID 3503807) has the molecular formula C19H18BrN3O5 and a molecular weight of 448.27 g/mol. Its IUPAC name is [4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
PubChem CID3503807
Molecular FormulaC19H18BrN3O5
Molecular Weight448.27 g/mol
Exact Mass447.04
IUPAC Name[4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(C=NNC(=O)CNC(=O)c2ccccc2Br)ccc1OC(C)=O
InChIInChI=1S/C19H18BrN3O5/c1-12(24)28-16-8-7-13(9-17(16)27-2)10-22-23-18(25)11-21-19(26)14-5-3-4-6-15(14)20/h3-10H,11H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyOGBMNRNQZZOPET-UHFFFAOYSA-N
XLogP2.26
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate with MolForge

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Related Compounds

[4-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 6073668
2-bromo-N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 2131603
[4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 4314966
[4-[[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-bromobenzoate
CID 3335930
[2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 24818260
[4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 124632208
[2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate
CID 932190
[4-[(Z)-[[2-[(2-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 6177687
N-[2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4311904
[4-[[(2-iodobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 1008577
methyl 2-[4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 17245435
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6283140

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate?
The IUPAC name of [4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate (CID 3503807) is [4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate?
The canonical SMILES for [4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate is COc1cc(C=NNC(=O)CNC(=O)c2ccccc2Br)ccc1OC(C)=O.
What is the InChIKey of [4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate?
The InChIKey is OGBMNRNQZZOPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O5/c1-12(24)28-16-8-7-13(9-17(16)27-2)10-22-23-18(25)11-21-19(26)14-5-3-4-6-15(14)20/h3-10H,11H2,1-2H3,(H,21,26)(H,23,25).
What are the key properties of [4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate?
[4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate has a molecular weight of 448.27 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 3503807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).