N-[(E)-(3-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide

C18H16Br2N4O3 — CID 155925365

IUPACN-[(E)-(3-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
SMILESO=C(COCC(=O)N/N=C/c1cccc(Br)c1)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C18H16Br2N4O3/c19-15-5-1-3-13(7-15)9-21-23-17(25)11-27-12-18(26)24-22-10-14-4-2-6-16(20)8-14/h1-10H,11-12H2,(H,23,25)(H,24,26)/b21-9+,22-10+
InChIKeyVDKAHFJRVMQXGQ-VGENTYGXSA-N
MW496.16 g/mol
LogP2.83
Rot. Bonds8

About N-[(E)-(3-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide

N-[(E)-(3-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide (PubChem CID 155925365) has the molecular formula C18H16Br2N4O3 and a molecular weight of 496.16 g/mol. Its IUPAC name is N-[(E)-(3-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN-[(E)-(3-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
PubChem CID155925365
Molecular FormulaC18H16Br2N4O3
Molecular Weight496.16 g/mol
Exact Mass493.96
IUPAC NameN-[(E)-(3-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
SMILESO=C(COCC(=O)N/N=C/c1cccc(Br)c1)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C18H16Br2N4O3/c19-15-5-1-3-13(7-15)9-21-23-17(25)11-27-12-18(26)24-22-10-14-4-2-6-16(20)8-14/h1-10H,11-12H2,(H,23,25)(H,24,26)/b21-9+,22-10+
InChIKeyVDKAHFJRVMQXGQ-VGENTYGXSA-N
XLogP2.83
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.16
LogP ≤ 52.83
H-Bond Donors ≤ 52
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

ethyl [(2E)-2-(3-bromobenzylidene)hydrazinyl](oxo)acetate
CID 6883462
2,2'-oxybis[N'-(2-fluorobenzylidene)acetohydrazide]
CID 5340045
2,2'-oxybis[N'-(4-fluorobenzylidene)acetohydrazide]
CID 5339990
Diglycolic bis((3-phenylpropylidene)hydrazide)
CID 9655848
N-[(E)-(3-fluorophenyl)methyleneamino]-2-[2-[(2E)-2-[(3-fluorophenyl)methylene]hydrazino]-2-oxo-ethoxy]acetamide
CID 155923914
2,2'-oxybis[N'-(4-bromobenzylidene)acetohydrazide]
CID 5334121
N-[(E)-o-tolylmethyleneamino]-2-[2-[(2E)-2-(o-tolylmethylene)hydrazino]-2-oxo-ethoxy]acetamide
CID 155923881
N-[(E)-m-tolylmethyleneamino]-2-[2-[(2E)-2-(m-tolylmethylene)hydrazino]-2-oxo-ethoxy]acetamide
CID 155923892
2-[2-oxo-2-[(2E)-2-(p-tolylmethylene)hydrazino]ethoxy]-N-[(E)-p-tolylmethyleneamino]acetamide
CID 155924615
N-[(E)-(2-bromophenyl)methyleneamino]-2-[2-[(2E)-2-[(2-bromophenyl)methylene]hydrazino]-2-oxo-ethoxy]acetamide
CID 155924616
N-[(4-fluorophenyl)methylideneamino]-2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 2246871
N-[(2-fluorophenyl)methylideneamino]-2-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 2246974

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide (CID 155925365) is N-[(E)-(3-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide.
What is the SMILES notation for N-[(E)-(3-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The canonical SMILES for N-[(E)-(3-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide is O=C(COCC(=O)N/N=C/c1cccc(Br)c1)N/N=C/c1cccc(Br)c1.
What is the InChIKey of N-[(E)-(3-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The InChIKey is VDKAHFJRVMQXGQ-VGENTYGXSA-N. The full InChI is InChI=1S/C18H16Br2N4O3/c19-15-5-1-3-13(7-15)9-21-23-17(25)11-27-12-18(26)24-22-10-14-4-2-6-16(20)8-14/h1-10H,11-12H2,(H,23,25)(H,24,26)/b21-9+,22-10+.
What are the key properties of N-[(E)-(3-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
N-[(E)-(3-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide has a molecular weight of 496.16 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide is sourced from PubChem (CID 155925365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).