2-chloro-N-(2,4-diethoxyphenyl)acetamide

C12H16ClNO3 — CID 166409021

IUPAC2-chloro-N-(2,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CCl)c(OCC)c1
InChIInChI=1S/C12H16ClNO3/c1-3-16-9-5-6-10(14-12(15)8-13)11(7-9)17-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyOACBRTVCLSWHIA-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.66
Rot. Bonds6

About 2-chloro-N-(2,4-diethoxyphenyl)acetamide

2-chloro-N-(2,4-diethoxyphenyl)acetamide (PubChem CID 166409021) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-N-(2,4-diethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-diethoxyphenyl)acetamide
PubChem CID166409021
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-chloro-N-(2,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CCl)c(OCC)c1
InChIInChI=1S/C12H16ClNO3/c1-3-16-9-5-6-10(14-12(15)8-13)11(7-9)17-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyOACBRTVCLSWHIA-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide
CID 43328839
3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933888
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
N-(4-amino-2-ethoxyphenyl)propanamide
CID 95910426
N-(2-amino-4-ethoxyphenyl)propanamide
CID 83506350
2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
CID 17340647
2-amino-N-(4-chloro-2-ethoxyphenyl)acetamide;hydrochloride
CID 119337558
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
3-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039741
methyl 4-[(2-chloroacetyl)amino]-3-methoxybenzoate
CID 83318590

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-diethoxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-(2,4-diethoxyphenyl)acetamide (CID 166409021) is 2-chloro-N-(2,4-diethoxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,4-diethoxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,4-diethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CCl)c(OCC)c1.
What is the InChIKey of 2-chloro-N-(2,4-diethoxyphenyl)acetamide?
The InChIKey is OACBRTVCLSWHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-3-16-9-5-6-10(14-12(15)8-13)11(7-9)17-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-N-(2,4-diethoxyphenyl)acetamide?
2-chloro-N-(2,4-diethoxyphenyl)acetamide has a molecular weight of 257.72 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-diethoxyphenyl)acetamide is sourced from PubChem (CID 166409021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).