2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide

C12H16ClNO3 — CID 82110533

IUPAC2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOCCNC(=O)C(Cl)c1ccc(OC)cc1
InChIInChI=1S/C12H16ClNO3/c1-16-8-7-14-12(15)11(13)9-3-5-10(17-2)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,14,15)
InChIKeyAGTALYYFROGISB-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.74
Rot. Bonds6

About 2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide

2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 82110533) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
PubChem CID82110533
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOCCNC(=O)C(Cl)c1ccc(OC)cc1
InChIInChI=1S/C12H16ClNO3/c1-16-8-7-14-12(15)11(13)9-3-5-10(17-2)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,14,15)
InChIKeyAGTALYYFROGISB-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324
3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide
CID 115649428
2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide
CID 62226439
N-(2-methoxyethyl)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]acetamide
CID 81371226
(4-methoxyphenyl) N-(2-methoxyethyl)carbamate
CID 121219063
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 115712008
(1S)-1-chloro-1-(4-methoxyphenyl)propan-2-one
CID 86318456
2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61251247
(2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide
CID 94027440
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propylamino]propanamide
CID 115711958
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43087093
(2S)-N-(2-methoxyethyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949228

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide (CID 82110533) is 2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide is COCCNC(=O)C(Cl)c1ccc(OC)cc1.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is AGTALYYFROGISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-16-8-7-14-12(15)11(13)9-3-5-10(17-2)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide?
2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 257.72 g/mol, XLogP of 1.74, 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-methoxyethyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 82110533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).