2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C18H19BrN2O4 — CID 7670810

IUPAC2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CO/N=C\c2ccccc2Br)cc1OC
InChIInChI=1S/C18H19BrN2O4/c1-23-16-8-7-13(9-17(16)24-2)10-20-18(22)12-25-21-11-14-5-3-4-6-15(14)19/h3-9,11H,10,12H2,1-2H3,(H,20,22)/b21-11-
InChIKeyRUGHVXCIJXUMMV-NHDPSOOVSA-N
MW407.26 g/mol
LogP3.13
Rot. Bonds8

About 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 7670810) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID7670810
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CO/N=C\c2ccccc2Br)cc1OC
InChIInChI=1S/C18H19BrN2O4/c1-23-16-8-7-13(9-17(16)24-2)10-20-18(22)12-25-21-11-14-5-3-4-6-15(14)19/h3-9,11H,10,12H2,1-2H3,(H,20,22)/b21-11-
InChIKeyRUGHVXCIJXUMMV-NHDPSOOVSA-N
XLogP3.13
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate
CID 7664095
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(3-fluoro-4-methylphenyl)methyl]-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 24581795
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2,2-diphenylacetate
CID 2520755
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7703122
N-[(4-chlorophenyl)methyl]-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670051
2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide
CID 24606299
2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92671676
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7644287
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704527
N-benzyl-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703253

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 7670810) is 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CO/N=C\c2ccccc2Br)cc1OC.
What is the InChIKey of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is RUGHVXCIJXUMMV-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-23-16-8-7-13(9-17(16)24-2)10-20-18(22)12-25-21-11-14-5-3-4-6-15(14)19/h3-9,11H,10,12H2,1-2H3,(H,20,22)/b21-11-.
What are the key properties of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 407.26 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 7670810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).