2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide

C17H17ClN2O3 — CID 6300942

IUPAC2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O3/c1-22-15-7-8-16(23-2)13(10-15)11-19-20-17(21)9-12-3-5-14(18)6-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)/b19-11-
InChIKeyYPKKPEPLPXLDMA-ODLFYWEKSA-N
MW332.79 g/mol
LogP3.05
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide

2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 6300942) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID6300942
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O3/c1-22-15-7-8-16(23-2)13(10-15)11-19-20-17(21)9-12-3-5-14(18)6-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)/b19-11-
InChIKeyYPKKPEPLPXLDMA-ODLFYWEKSA-N
XLogP3.05
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-(2-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 51061462
2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6165893
[2-[[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 1243771
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide
CID 110524973
1-[(4-chlorophenyl)methyl]-N-[(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 1275389
1-[(4-chlorophenyl)methyl]-N-[(2,5-dimethoxyphenyl)methylideneamino]pyrazole-3-carboxamide
CID 1027712
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 126378298
2-(4-chlorophenyl)-N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 136789448
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide
CID 3623191
2-(4-chloro-3-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19167750
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 39819272

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide (CID 6300942) is 2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide is COc1ccc(OC)c(/C=N\NC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is YPKKPEPLPXLDMA-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-22-15-7-8-16(23-2)13(10-15)11-19-20-17(21)9-12-3-5-14(18)6-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)/b19-11-.
What are the key properties of 2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 332.79 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6300942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).