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

C17H16Cl2N2O2 — CID 135598021

IUPAC2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)C/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C17H16Cl2N2O2/c1-2-11-5-3-4-6-15(11)21-16(22)10-20-9-12-7-13(18)8-14(19)17(12)23/h3-9,23H,2,10H2,1H3,(H,21,22)/b20-9+
InChIKeyYZDWRPIXHQAICI-AWQFTUOYSA-N
MW351.23 g/mol
LogP4.32
Rot. Bonds5

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

2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)acetamide (PubChem CID 135598021) 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-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)acetamide
PubChem CID135598021
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)C/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C17H16Cl2N2O2/c1-2-11-5-3-4-6-15(11)21-16(22)10-20-9-12-7-13(18)8-14(19)17(12)23/h3-9,23H,2,10H2,1H3,(H,21,22)/b20-9+
InChIKeyYZDWRPIXHQAICI-AWQFTUOYSA-N
XLogP4.32
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.32
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-(2,3-dimethylphenyl)acetamide
CID 135596146
N'-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 4215625
2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 136866501
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 136826715
2,4-dichloro-6-[(2-ethylanilino)methyl]phenol
CID 28525259
2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135531713
N'-(3,5-dichlorophenyl)-N-(2-ethylphenyl)oxamide
CID 108530358
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)thiourea
CID 135612335
(2S)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide
CID 137077961
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-[[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamothioylamino]benzamide
CID 135520646
4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide
CID 2838387

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)acetamide (CID 135598021) is 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)C/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is YZDWRPIXHQAICI-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-2-11-5-3-4-6-15(11)21-16(22)10-20-9-12-7-13(18)8-14(19)17(12)23/h3-9,23H,2,10H2,1H3,(H,21,22)/b20-9+.
What are the key properties of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)acetamide?
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 351.23 g/mol, XLogP of 4.32, 5 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-ethylphenyl)acetamide is sourced from PubChem (CID 135598021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).