N-[(E)-(4-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide

C18H16Br2N4O3 — CID 5334121

IUPACN-[(E)-(4-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
SMILESO=C(COCC(=O)N/N=C/c1ccc(Br)cc1)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C18H16Br2N4O3/c19-15-5-1-13(2-6-15)9-21-23-17(25)11-27-12-18(26)24-22-10-14-3-7-16(20)8-4-14/h1-10H,11-12H2,(H,23,25)(H,24,26)/b21-9+,22-10+
InChIKeyFVHCHHKBPWHFSU-VGENTYGXSA-N
MW496.16 g/mol
LogP2.83
Rot. Bonds8

About N-[(E)-(4-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide

N-[(E)-(4-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide (PubChem CID 5334121) has the molecular formula C18H16Br2N4O3 and a molecular weight of 496.16 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
PubChem CID5334121
Molecular FormulaC18H16Br2N4O3
Molecular Weight496.16 g/mol
Exact Mass493.96
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
SMILESO=C(COCC(=O)N/N=C/c1ccc(Br)cc1)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C18H16Br2N4O3/c19-15-5-1-13(2-6-15)9-21-23-17(25)11-27-12-18(26)24-22-10-14-3-7-16(20)8-4-14/h1-10H,11-12H2,(H,23,25)(H,24,26)/b21-9+,22-10+
InChIKeyFVHCHHKBPWHFSU-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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide (CID 5334121) is N-[(E)-(4-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide is O=C(COCC(=O)N/N=C/c1ccc(Br)cc1)N/N=C/c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The InChIKey is FVHCHHKBPWHFSU-VGENTYGXSA-N. The full InChI is InChI=1S/C18H16Br2N4O3/c19-15-5-1-13(2-6-15)9-21-23-17(25)11-27-12-18(26)24-22-10-14-3-7-16(20)8-4-14/h1-10H,11-12H2,(H,23,25)(H,24,26)/b21-9+,22-10+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
N-[(E)-(4-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(4-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)-(4-bromophenyl)methylideneamino]-2-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide is sourced from PubChem (CID 5334121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).