2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide

C13H18ClNO2 — CID 54949363

IUPAC2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
SMILESCCN(CCOC)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C13H18ClNO2/c1-3-15(9-10-17-2)13(16)12(14)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3
InChIKeySTDGUAYBTKIMPK-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.46
Rot. Bonds6

About 2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide

2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide (PubChem CID 54949363) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
PubChem CID54949363
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
SMILESCCN(CCOC)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C13H18ClNO2/c1-3-15(9-10-17-2)13(16)12(14)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3
InChIKeySTDGUAYBTKIMPK-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2-chloro-2-phenylacetyl)-(2-methoxyethyl)amino]propanoate
CID 115534215
2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 60949486
(2R)-2-amino-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949185
2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide
CID 82960088
2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 62225537
methyl 2-[[[(2R)-2-chloro-2-phenylacetyl]-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 7405528
2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 3263865
2-[2-[ethyl(2-methoxyethyl)carbamoyl]phenyl]acetic acid
CID 114199797
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-2-phenylacetamide
CID 63692706
2-chloro-N-ethyl-N,2-diphenylacetamide
CID 43245479
2-[[(2R)-2-amino-2-phenylacetyl]-(2-methoxyethyl)amino]acetic acid
CID 79272062
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61435349

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide (CID 54949363) is 2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide is CCN(CCOC)C(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide?
The InChIKey is STDGUAYBTKIMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-15(9-10-17-2)13(16)12(14)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide?
2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide has a molecular weight of 255.75 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide is sourced from PubChem (CID 54949363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).