2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide

C20H22Cl2N2O2 — CID 8798727

IUPAC2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C20H22Cl2N2O2/c21-16-8-9-19(17(22)12-16)26-14-20(25)23-13-18(24-10-4-5-11-24)15-6-2-1-3-7-15/h1-3,6-9,12,18H,4-5,10-11,13-14H2,(H,23,25)/t18-/m1/s1
InChIKeyOEHROYVOCBBVSB-GOSISDBHSA-N
MW393.31 g/mol
LogP4.33
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 8798727) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID8798727
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C20H22Cl2N2O2/c21-16-8-9-19(17(22)12-16)26-14-20(25)23-13-18(24-10-4-5-11-24)15-6-2-1-3-7-15/h1-3,6-9,12,18H,4-5,10-11,13-14H2,(H,23,25)/t18-/m1/s1
InChIKeyOEHROYVOCBBVSB-GOSISDBHSA-N
XLogP4.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 40890264
2-(2-chlorophenoxy)-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 45155134
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 52984972
2-(4-chloro-3-methylphenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8799085
2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 41111766
2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8799067
2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17011545
2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014391
2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975342
2-(2-chlorophenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834691
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 18111373
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide (CID 8798727) is 2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NC[C@H](c1ccccc1)N1CCCC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is OEHROYVOCBBVSB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c21-16-8-9-19(17(22)12-16)26-14-20(25)23-13-18(24-10-4-5-11-24)15-6-2-1-3-7-15/h1-3,6-9,12,18H,4-5,10-11,13-14H2,(H,23,25)/t18-/m1/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 393.31 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 8798727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).