2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide

C12H16ClNO3 — CID 62226434

IUPAC2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide
SMILESCCNC(=O)C(Cl)c1cc(OC)ccc1OC
InChIInChI=1S/C12H16ClNO3/c1-4-14-12(15)11(13)9-7-8(16-2)5-6-10(9)17-3/h5-7,11H,4H2,1-3H3,(H,14,15)
InChIKeyJBTDLJWPXONXJA-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.12
Rot. Bonds5

About 2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide

2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide (PubChem CID 62226434) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide
PubChem CID62226434
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide
SMILESCCNC(=O)C(Cl)c1cc(OC)ccc1OC
InChIInChI=1S/C12H16ClNO3/c1-4-14-12(15)11(13)9-7-8(16-2)5-6-10(9)17-3/h5-7,11H,4H2,1-3H3,(H,14,15)
InChIKeyJBTDLJWPXONXJA-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.12
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

(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041
2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide
CID 55048004
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9264822
2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene
CID 63429238
2-chloro-N-ethyl-2-(2-methylphenyl)acetamide
CID 62225126
5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide
CID 100553276
2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene
CID 63432243
ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate
CID 60786403
methyl 2-[(2,5-dimethoxyphenyl)-hydroxymethyl]butanoate
CID 62395093

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide?
The IUPAC name of 2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide (CID 62226434) is 2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide.
What is the SMILES notation for 2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide?
The canonical SMILES for 2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide is CCNC(=O)C(Cl)c1cc(OC)ccc1OC.
What is the InChIKey of 2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide?
The InChIKey is JBTDLJWPXONXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-4-14-12(15)11(13)9-7-8(16-2)5-6-10(9)17-3/h5-7,11H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide?
2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide has a molecular weight of 257.72 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2,5-dimethoxyphenyl)-N-ethylacetamide is sourced from PubChem (CID 62226434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).