2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide

C20H23ClN2O — CID 60503183

IUPAC2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CN1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O/c1-15-6-2-3-7-17(15)13-22-20(24)14-23-11-5-10-19(23)16-8-4-9-18(21)12-16/h2-4,6-9,12,19H,5,10-11,13-14H2,1H3,(H,22,24)
InChIKeyYMKKYWGJNUJYBZ-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.10
Rot. Bonds5

About 2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide

2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 60503183) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID60503183
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CN1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O/c1-15-6-2-3-7-17(15)13-22-20(24)14-23-11-5-10-19(23)16-8-4-9-18(21)12-16/h2-4,6-9,12,19H,5,10-11,13-14H2,1H3,(H,22,24)
InChIKeyYMKKYWGJNUJYBZ-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 40987983
N-(2,6-dimethylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41448251
N-[(3-chlorophenyl)methyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8975591
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441794
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 108996675
2-[(6aS)-4-methyl-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 95113876
N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120771028
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9488944
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 8693460
N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 108998036
N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41448326
2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 60505182

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide (CID 60503183) is 2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)CN1CCCC1c1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is YMKKYWGJNUJYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-15-6-2-3-7-17(15)13-22-20(24)14-23-11-5-10-19(23)16-8-4-9-18(21)12-16/h2-4,6-9,12,19H,5,10-11,13-14H2,1H3,(H,22,24).
What are the key properties of 2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 342.87 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 60503183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).