N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide

C16H14ClNO3 — CID 63325346

IUPACN-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2Cl)c(C=O)c1
InChIInChI=1S/C16H14ClNO3/c1-11-6-7-15(12(8-11)9-19)21-10-16(20)18-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyOCGUEANDXCOMHL-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.48
Rot. Bonds5

About N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide

N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide (PubChem CID 63325346) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide
PubChem CID63325346
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC NameN-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2Cl)c(C=O)c1
InChIInChI=1S/C16H14ClNO3/c1-11-6-7-15(12(8-11)9-19)21-10-16(20)18-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyOCGUEANDXCOMHL-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371
N-(2-chlorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide
CID 78929086
2-(2-tert-butyl-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 725942
N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743749
2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 28913391
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63325172
2-(4-bromo-2-formyl-6-methoxyphenoxy)-N-(2-chlorophenyl)acetamide
CID 28913362
3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide
CID 2377871
2-(2-chloro-5-methylphenoxy)-N-(2-fluorophenyl)acetamide
CID 7642832
2-(2-chloro-4-formylphenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 17202192
N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 28913395

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide (CID 63325346) is N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(C=O)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide?
The InChIKey is OCGUEANDXCOMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-11-6-7-15(12(8-11)9-19)21-10-16(20)18-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide?
N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide has a molecular weight of 303.75 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide is sourced from PubChem (CID 63325346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).