2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

C22H26ClN3O2 — CID 38180894

IUPAC2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O2/c1-25(15-18-6-10-20(23)11-7-18)16-21(27)24-14-17-4-8-19(9-5-17)22(28)26-12-2-3-13-26/h4-11H,2-3,12-16H2,1H3,(H,24,27)
InChIKeyYIZVBBKWOYTLTL-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.32
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 38180894) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID38180894
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O2/c1-25(15-18-6-10-20(23)11-7-18)16-21(27)24-14-17-4-8-19(9-5-17)22(28)26-12-2-3-13-26/h4-11H,2-3,12-16H2,1H3,(H,24,27)
InChIKeyYIZVBBKWOYTLTL-UHFFFAOYSA-N
XLogP3.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (CID 38180894) is 2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is CN(CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is YIZVBBKWOYTLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-25(15-18-6-10-20(23)11-7-18)16-21(27)24-14-17-4-8-19(9-5-17)22(28)26-12-2-3-13-26/h4-11H,2-3,12-16H2,1H3,(H,24,27).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 399.92 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 38180894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).