2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide

C16H14Br2ClN3O — CID 4037059

IUPAC2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)CNc1ccc(Cl)cc1Br)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br2ClN3O/c1-10(11-2-4-12(17)5-3-11)21-22-16(23)9-20-15-7-6-13(19)8-14(15)18/h2-8,20H,9H2,1H3,(H,22,23)
InChIKeyXUEKEPORXBGLIH-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.82
Rot. Bonds5

About 2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide

2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide (PubChem CID 4037059) has the molecular formula C16H14Br2ClN3O and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
PubChem CID4037059
Molecular FormulaC16H14Br2ClN3O
Molecular Weight459.57 g/mol
Exact Mass456.92
IUPAC Name2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)CNc1ccc(Cl)cc1Br)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br2ClN3O/c1-10(11-2-4-12(17)5-3-11)21-22-16(23)9-20-15-7-6-13(19)8-14(15)18/h2-8,20H,9H2,1H3,(H,22,23)
InChIKeyXUEKEPORXBGLIH-UHFFFAOYSA-N
XLogP4.82
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-bromo-4-chloroanilino)-N-[(E)-4-phenylbutan-2-ylideneamino]acetamide
CID 7228655
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 5457542
2-(2-bromo-4-chloroanilino)-N-[(E)-1-phenylheptylideneamino]acetamide
CID 92652579
N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
CID 3461885
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427879
2-(2-bromo-4-chloroanilino)-N-(cyclooctylideneamino)acetamide
CID 2843077
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
2-(2-bromo-4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 4926099
N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
CID 4582452
methyl 2-(2-bromo-4-chloroanilino)acetate
CID 80978880
2-(2-chloroanilino)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 5427824
N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 4659589

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide (CID 4037059) is 2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide is CC(=NNC(=O)CNc1ccc(Cl)cc1Br)c1ccc(Br)cc1.
What is the InChIKey of 2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide?
The InChIKey is XUEKEPORXBGLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2ClN3O/c1-10(11-2-4-12(17)5-3-11)21-22-16(23)9-20-15-7-6-13(19)8-14(15)18/h2-8,20H,9H2,1H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide?
2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide has a molecular weight of 459.57 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 4037059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).