2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride

C23H32Cl3N3O — CID 24832638

IUPAC2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride
SMILESCc1cccc(C)c1NC(=O)CN(CCN1CCCC1)Cc1ccc(Cl)cc1.Cl.Cl
InChIInChI=1S/C23H30ClN3O.2ClH/c1-18-6-5-7-19(2)23(18)25-22(28)17-27(15-14-26-12-3-4-13-26)16-20-8-10-21(24)11-9-20;;/h5-11H,3-4,12-17H2,1-2H3,(H,25,28);2*1H
InChIKeyWDAAXYBLVIYLPY-UHFFFAOYSA-N
MW472.89 g/mol
LogP5.34
Rot. Bonds8

About 2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride

2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride (PubChem CID 24832638) has the molecular formula C23H32Cl3N3O and a molecular weight of 472.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride
PubChem CID24832638
Molecular FormulaC23H32Cl3N3O
Molecular Weight472.89 g/mol
Exact Mass471.16
IUPAC Name2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride
SMILESCc1cccc(C)c1NC(=O)CN(CCN1CCCC1)Cc1ccc(Cl)cc1.Cl.Cl
InChIInChI=1S/C23H30ClN3O.2ClH/c1-18-6-5-7-19(2)23(18)25-22(28)17-27(15-14-26-12-3-4-13-26)16-20-8-10-21(24)11-9-20;;/h5-11H,3-4,12-17H2,1-2H3,(H,25,28);2*1H
InChIKeyWDAAXYBLVIYLPY-UHFFFAOYSA-N
XLogP5.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.89
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide
CID 24832590
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
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride
CID 24836116
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
methyl 4-[[2-(diethylamino)ethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]methyl]benzoate
CID 142270457
N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 75392697
CID 89442401
CID 89442401
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)acetamide
CID 4185982
N-(2-ethyl-6-methylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 110688197
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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride (CID 24832638) is 2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride is Cc1cccc(C)c1NC(=O)CN(CCN1CCCC1)Cc1ccc(Cl)cc1.Cl.Cl.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride?
The InChIKey is WDAAXYBLVIYLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O.2ClH/c1-18-6-5-7-19(2)23(18)25-22(28)17-27(15-14-26-12-3-4-13-26)16-20-8-10-21(24)11-9-20;;/h5-11H,3-4,12-17H2,1-2H3,(H,25,28);2*1H.
What are the key properties of 2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride?
2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride has a molecular weight of 472.89 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride is sourced from PubChem (CID 24832638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).