2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C21H17Cl2N3O2 — CID 135465371

IUPAC2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)N/N=C/c1ccccc1O
InChIInChI=1S/C21H17Cl2N3O2/c22-16-8-5-9-17(23)21(16)25-18-10-3-1-6-14(18)12-20(28)26-24-13-15-7-2-4-11-19(15)27/h1-11,13,25,27H,12H2,(H,26,28)/b24-13+
InChIKeyQJXZDPBEHDWLQE-ZMOGYAJESA-N
MW414.29 g/mol
LogP5.14
Rot. Bonds6

About 2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135465371) has the molecular formula C21H17Cl2N3O2 and a molecular weight of 414.29 g/mol. Its IUPAC name is 2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135465371
Molecular FormulaC21H17Cl2N3O2
Molecular Weight414.29 g/mol
Exact Mass413.07
IUPAC Name2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)N/N=C/c1ccccc1O
InChIInChI=1S/C21H17Cl2N3O2/c22-16-8-5-9-17(23)21(16)25-18-10-3-1-6-14(18)12-20(28)26-24-13-15-7-2-4-11-19(15)27/h1-11,13,25,27H,12H2,(H,26,28)/b24-13+
InChIKeyQJXZDPBEHDWLQE-ZMOGYAJESA-N
XLogP5.14
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.29
LogP ≤ 55.14
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135465371) is 2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)N/N=C/c1ccccc1O.
What is the InChIKey of 2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is QJXZDPBEHDWLQE-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H17Cl2N3O2/c22-16-8-5-9-17(23)21(16)25-18-10-3-1-6-14(18)12-20(28)26-24-13-15-7-2-4-11-19(15)27/h1-11,13,25,27H,12H2,(H,26,28)/b24-13+.
What are the key properties of 2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 414.29 g/mol, XLogP of 5.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135465371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).