2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide

C18H21ClN2O2 — CID 8936701

IUPAC2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide
SMILESCN(C)C[C@@H](NC(=O)COc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClN2O2/c1-21(2)12-16(14-8-4-3-5-9-14)20-18(22)13-23-17-11-7-6-10-15(17)19/h3-11,16H,12-13H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyQHLUJRGDQVXOIJ-MRXNPFEDSA-N
MW332.83 g/mol
LogP3.14
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide

2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide (PubChem CID 8936701) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide
PubChem CID8936701
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide
SMILESCN(C)C[C@@H](NC(=O)COc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClN2O2/c1-21(2)12-16(14-8-4-3-5-9-14)20-18(22)13-23-17-11-7-6-10-15(17)19/h3-11,16H,12-13H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyQHLUJRGDQVXOIJ-MRXNPFEDSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8936319
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8937450
[2-oxo-2-(1-phenylbutylamino)ethyl] 2-(2-chlorophenoxy)acetate
CID 55366701
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate
CID 7519105
N-[2-(dimethylamino)-1-phenylethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 24504283
2-(2-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 28632217
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110931209
N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide
CID 47011877
2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148972
2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103945081
2-(2-chlorophenoxy)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 9011762

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide (CID 8936701) is 2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide is CN(C)C[C@@H](NC(=O)COc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide?
The InChIKey is QHLUJRGDQVXOIJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-21(2)12-16(14-8-4-3-5-9-14)20-18(22)13-23-17-11-7-6-10-15(17)19/h3-11,16H,12-13H2,1-2H3,(H,20,22)/t16-/m1/s1.
What are the key properties of 2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide?
2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide has a molecular weight of 332.83 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide is sourced from PubChem (CID 8936701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).