2-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide

C18H21ClN2O2 — CID 8937450

IUPAC2-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide
SMILESCN(C)C[C@H](NC(=O)COc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H21ClN2O2/c1-21(2)12-17(14-7-4-3-5-8-14)20-18(22)13-23-16-10-6-9-15(19)11-16/h3-11,17H,12-13H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyZYVKPTMXNCOXIR-KRWDZBQOSA-N
MW332.83 g/mol
LogP3.14
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide

2-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide (PubChem CID 8937450) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide
PubChem CID8937450
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide
SMILESCN(C)C[C@H](NC(=O)COc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H21ClN2O2/c1-21(2)12-17(14-7-4-3-5-8-14)20-18(22)13-23-16-10-6-9-15(19)11-16/h3-11,17H,12-13H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyZYVKPTMXNCOXIR-KRWDZBQOSA-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

N-benzyl-2-phenoxyacetamide
CID 309669
N-benzyl-2-(3-chlorophenoxy)acetamide
CID 309594
(S)-N2-{4-[(3-chlorobenzyl)oxy]benzyl}alaninamide
CID 10087289
(R)-N2-{4-[(3-chlorobenzyl)oxy]benzyl}alaninamide
CID 23625205
N-benzyl-2-(4-chlorophenoxy)acetamide
CID 2791617
N-benzyl-2-(2-chlorophenoxy)acetamide
CID 707236
N-(2-Methyl-benzyl)-2-phenoxy-acetamide
CID 778125
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-(4-Isopropyl-phenoxy)-N-(1-phenyl-ethyl)-acetamide
CID 2788031
2-(4-methoxyphenoxy)-N-(1-phenylethyl)propanamide
CID 2789587
1-(4-Benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone
CID 752941
(R)-1-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone
CID 9999626

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide (CID 8937450) is 2-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide is CN(C)C[C@H](NC(=O)COc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide?
The InChIKey is ZYVKPTMXNCOXIR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-21(2)12-17(14-7-4-3-5-8-14)20-18(22)13-23-16-10-6-9-15(19)11-16/h3-11,17H,12-13H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of 2-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide?
2-(3-chlorophenoxy)-N-[(1R)-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-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide is sourced from PubChem (CID 8937450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).