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

C21H25ClN2O — CID 60505437

IUPAC2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CN1CCCC1c1ccccc1Cl
InChIInChI=1S/C21H25ClN2O/c1-16-8-3-4-9-17(16)14-23(2)21(25)15-24-13-7-12-20(24)18-10-5-6-11-19(18)22/h3-6,8-11,20H,7,12-15H2,1-2H3
InChIKeyWCTPHEFJZOGSKU-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.44
Rot. Bonds5

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

2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 60505437) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID60505437
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CN1CCCC1c1ccccc1Cl
InChIInChI=1S/C21H25ClN2O/c1-16-8-3-4-9-17(16)14-23(2)21(25)15-24-13-7-12-20(24)18-10-5-6-11-19(18)22/h3-6,8-11,20H,7,12-15H2,1-2H3
InChIKeyWCTPHEFJZOGSKU-UHFFFAOYSA-N
XLogP4.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methyl-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
CID 60505355
2-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 129447589
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 102977293
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 60505498
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801973
2-(3-hydroxypyrrolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 62916160
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78963394
2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 43556426
N-methyl-N-[(2-methylphenyl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56780580
N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 78860482
ethyl 1-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 78787338
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 114681183

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 60505437) is 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CN(C)C(=O)CN1CCCC1c1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is WCTPHEFJZOGSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-16-8-3-4-9-17(16)14-23(2)21(25)15-24-13-7-12-20(24)18-10-5-6-11-19(18)22/h3-6,8-11,20H,7,12-15H2,1-2H3.
What are the key properties of 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 356.90 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 60505437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).