2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide

C18H16Br2ClN3O2 — CID 136802230

IUPAC2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
SMILESC=CCc1cccc(/C=N\NC(=O)CNc2c(Br)cc(Cl)cc2Br)c1O
InChIInChI=1S/C18H16Br2ClN3O2/c1-2-4-11-5-3-6-12(18(11)26)9-23-24-16(25)10-22-17-14(19)7-13(21)8-15(17)20/h2-3,5-9,22,26H,1,4,10H2,(H,24,25)/b23-9-
InChIKeyDFNCJQRJUXTYPS-AQHIEDMUSA-N
MW501.61 g/mol
LogP4.86
Rot. Bonds7

About 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide

2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide (PubChem CID 136802230) has the molecular formula C18H16Br2ClN3O2 and a molecular weight of 501.61 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
PubChem CID136802230
Molecular FormulaC18H16Br2ClN3O2
Molecular Weight501.61 g/mol
Exact Mass498.93
IUPAC Name2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
SMILESC=CCc1cccc(/C=N\NC(=O)CNc2c(Br)cc(Cl)cc2Br)c1O
InChIInChI=1S/C18H16Br2ClN3O2/c1-2-4-11-5-3-6-12(18(11)26)9-23-24-16(25)10-22-17-14(19)7-13(21)8-15(17)20/h2-3,5-9,22,26H,1,4,10H2,(H,24,25)/b23-9-
InChIKeyDFNCJQRJUXTYPS-AQHIEDMUSA-N
XLogP4.86
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.61
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135533730
2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136773677
2-anilino-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135490294
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5213050
2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135421756
2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135615945
2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135822145
N-(4-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide
CID 136822704
3,5-dibromo-2-hydroxy-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 2180490
N-[(2-hydroxyphenyl)methylideneamino]-2-(2,4,6-tribromoanilino)acetamide
CID 1246171
5-bromo-2-hydroxy-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 1120113
4-bromo-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135514316

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide (CID 136802230) is 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide is C=CCc1cccc(/C=N\NC(=O)CNc2c(Br)cc(Cl)cc2Br)c1O.
What is the InChIKey of 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide?
The InChIKey is DFNCJQRJUXTYPS-AQHIEDMUSA-N. The full InChI is InChI=1S/C18H16Br2ClN3O2/c1-2-4-11-5-3-6-12(18(11)26)9-23-24-16(25)10-22-17-14(19)7-13(21)8-15(17)20/h2-3,5-9,22,26H,1,4,10H2,(H,24,25)/b23-9-.
What are the key properties of 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide?
2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide has a molecular weight of 501.61 g/mol, XLogP of 4.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136802230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).