2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide

C15H11Cl3N2O2 — CID 135531713

IUPAC2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H11Cl3N2O2/c16-11-3-1-9(2-4-11)5-14(21)20-19-8-10-6-12(17)7-13(18)15(10)22/h1-4,6-8,22H,5H2,(H,20,21)/b19-8+
InChIKeyKETZIUVESPIQRJ-UFWORHAWSA-N
MW357.62 g/mol
LogP4.05
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide

2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135531713) has the molecular formula C15H11Cl3N2O2 and a molecular weight of 357.62 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135531713
Molecular FormulaC15H11Cl3N2O2
Molecular Weight357.62 g/mol
Exact Mass355.99
IUPAC Name2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H11Cl3N2O2/c16-11-3-1-9(2-4-11)5-14(21)20-19-8-10-6-12(17)7-13(18)15(10)22/h1-4,6-8,22H,5H2,(H,20,21)/b19-8+
InChIKeyKETZIUVESPIQRJ-UFWORHAWSA-N
XLogP4.05
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.62
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(4-chlorophenyl)-N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 137171959
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135559947
N-[(Z)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 136789440
2-(4-chlorophenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 93224601
[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
CID 793144
2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 136866501
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135678479
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide
CID 137118534
2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379840
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515666
2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 4628191
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 136742656

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide (CID 135531713) is 2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide is O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is KETZIUVESPIQRJ-UFWORHAWSA-N. The full InChI is InChI=1S/C15H11Cl3N2O2/c16-11-3-1-9(2-4-11)5-14(21)20-19-8-10-6-12(17)7-13(18)15(10)22/h1-4,6-8,22H,5H2,(H,20,21)/b19-8+.
What are the key properties of 2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 357.62 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135531713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).