2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide

C17H16Cl2N2O2 — CID 135596146

IUPAC2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)C/N=C/c2cc(Cl)cc(Cl)c2O)c1C
InChIInChI=1S/C17H16Cl2N2O2/c1-10-4-3-5-15(11(10)2)21-16(22)9-20-8-12-6-13(18)7-14(19)17(12)23/h3-8,23H,9H2,1-2H3,(H,21,22)/b20-8+
InChIKeyCGRNHTDOFIWFLZ-DNTJNYDQSA-N
MW351.23 g/mol
LogP4.37
Rot. Bonds4

About 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide

2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 135596146) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID135596146
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)C/N=C/c2cc(Cl)cc(Cl)c2O)c1C
InChIInChI=1S/C17H16Cl2N2O2/c1-10-4-3-5-15(11(10)2)21-16(22)9-20-8-12-6-13(18)7-14(19)17(12)23/h3-8,23H,9H2,1-2H3,(H,21,22)/b20-8+
InChIKeyCGRNHTDOFIWFLZ-DNTJNYDQSA-N
XLogP4.37
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)acetamide
CID 135598021
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 136826715
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)thiourea
CID 135612335
3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 100605551
2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 136866501
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 136742656
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
2,4-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 9342302
N-(3-chloro-2-methylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135758597
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide
CID 5177833
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide (CID 135596146) is 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)C/N=C/c2cc(Cl)cc(Cl)c2O)c1C.
What is the InChIKey of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is CGRNHTDOFIWFLZ-DNTJNYDQSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-10-4-3-5-15(11(10)2)21-16(22)9-20-8-12-6-13(18)7-14(19)17(12)23/h3-8,23H,9H2,1-2H3,(H,21,22)/b20-8+.
What are the key properties of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide?
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 351.23 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 135596146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).