2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide

C22H28ClN3O — CID 24832590

IUPAC2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide
SMILESCc1cccc(Cl)c1NC(=O)CN(CCN1CCCC1)Cc1ccccc1
InChIInChI=1S/C22H28ClN3O/c1-18-8-7-11-20(23)22(18)24-21(27)17-26(15-14-25-12-5-6-13-25)16-19-9-3-2-4-10-19/h2-4,7-11H,5-6,12-17H2,1H3,(H,24,27)
InChIKeyRMFPUIKKNRLIOJ-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.18
Rot. Bonds8

About 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide

2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide (PubChem CID 24832590) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide
PubChem CID24832590
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide
SMILESCc1cccc(Cl)c1NC(=O)CN(CCN1CCCC1)Cc1ccccc1
InChIInChI=1S/C22H28ClN3O/c1-18-8-7-11-20(23)22(18)24-21(27)17-26(15-14-25-12-5-6-13-25)16-19-9-3-2-4-10-19/h2-4,7-11H,5-6,12-17H2,1H3,(H,24,27)
InChIKeyRMFPUIKKNRLIOJ-UHFFFAOYSA-N
XLogP4.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride
CID 24832638
2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 11971642
1-benzyl-3-(2-chloro-6-methylphenyl)-1-(2-piperidin-1-ylethyl)urea
CID 3060889
N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride
CID 24836116
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
1,3-bis(2-chloro-6-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)urea
CID 3060895
N-(2-chlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 11971646
3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 55482442
2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride
CID 138396783
1-N-[(4-aminophenyl)methyl]-1-N-[2-(azepan-1-yl)ethyl]-2-N-(2-chloro-6-ethylphenyl)prop-2-ene-1,2-diamine
CID 142270419
N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 75392697
3-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]methyl]benzoic acid
CID 122029217

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide?
The IUPAC name of 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide (CID 24832590) is 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide is Cc1cccc(Cl)c1NC(=O)CN(CCN1CCCC1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide?
The InChIKey is RMFPUIKKNRLIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-18-8-7-11-20(23)22(18)24-21(27)17-26(15-14-25-12-5-6-13-25)16-19-9-3-2-4-10-19/h2-4,7-11H,5-6,12-17H2,1H3,(H,24,27).
What are the key properties of 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide?
2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide has a molecular weight of 385.94 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide is sourced from PubChem (CID 24832590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).