2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide

C15H12Br2ClN3O2 — CID 136773677

IUPAC2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1c(Br)cc(Cl)cc1Br)N/N=C\c1ccccc1O
InChIInChI=1S/C15H12Br2ClN3O2/c16-11-5-10(18)6-12(17)15(11)19-8-14(23)21-20-7-9-3-1-2-4-13(9)22/h1-7,19,22H,8H2,(H,21,23)/b20-7-
InChIKeySWNSOBWYZDWQNJ-SCDVKCJHSA-N
MW461.54 g/mol
LogP4.13
Rot. Bonds5

About 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide

2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 136773677) has the molecular formula C15H12Br2ClN3O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID136773677
Molecular FormulaC15H12Br2ClN3O2
Molecular Weight461.54 g/mol
Exact Mass458.90
IUPAC Name2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1c(Br)cc(Cl)cc1Br)N/N=C\c1ccccc1O
InChIInChI=1S/C15H12Br2ClN3O2/c16-11-5-10(18)6-12(17)15(11)19-8-14(23)21-20-7-9-3-1-2-4-13(9)22/h1-7,19,22H,8H2,(H,21,23)/b20-7-
InChIKeySWNSOBWYZDWQNJ-SCDVKCJHSA-N
XLogP4.13
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.13
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methylideneamino]-2-(2,4,6-tribromoanilino)acetamide
CID 1246171
2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 136802230
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
CID 135420016
2-(3-chloroanilino)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 5143452
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2,4,6-tribromoanilino)acetamide
CID 4579074
2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136863892
N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 4530785
2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 136866501
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
2-(4-bromonaphthalen-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135479555

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 136773677) is 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CNc1c(Br)cc(Cl)cc1Br)N/N=C\c1ccccc1O.
What is the InChIKey of 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is SWNSOBWYZDWQNJ-SCDVKCJHSA-N. The full InChI is InChI=1S/C15H12Br2ClN3O2/c16-11-5-10(18)6-12(17)15(11)19-8-14(23)21-20-7-9-3-1-2-4-13(9)22/h1-7,19,22H,8H2,(H,21,23)/b20-7-.
What are the key properties of 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 461.54 g/mol, XLogP of 4.13, 5 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-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136773677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).