N-(2-chlorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide

C15H13ClN2O3 — CID 78929086

IUPACN-(2-chlorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2Cl)c(C=O)n1
InChIInChI=1S/C15H13ClN2O3/c1-10-6-7-14(13(8-19)17-10)21-9-15(20)18-12-5-3-2-4-11(12)16/h2-8H,9H2,1H3,(H,18,20)
InChIKeyVATJNAVAGTUCJI-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.87
Rot. Bonds5

About N-(2-chlorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide

N-(2-chlorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide (PubChem CID 78929086) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide
PubChem CID78929086
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-(2-chlorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2Cl)c(C=O)n1
InChIInChI=1S/C15H13ClN2O3/c1-10-6-7-14(13(8-19)17-10)21-9-15(20)18-12-5-3-2-4-11(12)16/h2-8H,9H2,1H3,(H,18,20)
InChIKeyVATJNAVAGTUCJI-UHFFFAOYSA-N
XLogP2.87
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide
CID 78929098
N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide
CID 63325346
N-(4-fluorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide
CID 78929091
N-(2-chlorophenyl)-2-(2-trimethylsilyloxyphenoxy)acetamide
CID 91696728
2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chlorophenyl)acetamide
CID 1010729
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylphenyl)acetamide
CID 79157217
2-(2-bromo-5-fluorophenoxy)-N-(2-chlorophenyl)acetamide
CID 81496110
N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 28913395
N-(2-chlorophenyl)-2-(2,4-difluorophenoxy)acetamide
CID 31854987

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide (CID 78929086) is N-(2-chlorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide is Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(C=O)n1.
What is the InChIKey of N-(2-chlorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide?
The InChIKey is VATJNAVAGTUCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-10-6-7-14(13(8-19)17-10)21-9-15(20)18-12-5-3-2-4-11(12)16/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of N-(2-chlorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide?
N-(2-chlorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide has a molecular weight of 304.73 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 78929086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).