2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide

C17H17Br2N3O2 — CID 46502238

IUPAC2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C17H17Br2N3O2/c1-2-24-14-6-3-12(4-7-14)10-21-22-17(23)11-20-16-8-5-13(18)9-15(16)19/h3-10,20H,2,11H2,1H3,(H,22,23)/b21-10+
InChIKeyDYOPLYFLNBYSGL-UFFVCSGVSA-N
MW455.15 g/mol
LogP4.17
Rot. Bonds7

About 2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide

2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide (PubChem CID 46502238) has the molecular formula C17H17Br2N3O2 and a molecular weight of 455.15 g/mol. Its IUPAC name is 2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
PubChem CID46502238
Molecular FormulaC17H17Br2N3O2
Molecular Weight455.15 g/mol
Exact Mass452.97
IUPAC Name2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C17H17Br2N3O2/c1-2-24-14-6-3-12(4-7-14)10-21-22-17(23)11-20-16-8-5-13(18)9-15(16)19/h3-10,20H,2,11H2,1H3,(H,22,23)/b21-10+
InChIKeyDYOPLYFLNBYSGL-UFFVCSGVSA-N
XLogP4.17
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.15
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 770382
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5401700
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 759194
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 19208342
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 5416855
2-(4-bromo-2-chlorophenoxy)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 4631725
N-[(4-bromophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630248
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 17141081
[4-[[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3718143
2-(2-bromo-4-ethylphenoxy)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 4628409
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410677
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide (CID 46502238) is 2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide is CCOc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2Br)cc1.
What is the InChIKey of 2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide?
The InChIKey is DYOPLYFLNBYSGL-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H17Br2N3O2/c1-2-24-14-6-3-12(4-7-14)10-21-22-17(23)11-20-16-8-5-13(18)9-15(16)19/h3-10,20H,2,11H2,1H3,(H,22,23)/b21-10+.
What are the key properties of 2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide?
2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide has a molecular weight of 455.15 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 46502238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).