3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride

C20H23Cl2N3O2 — CID 119951461

IUPAC3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
SMILESCN(C(=O)CC(N)c1ccccc1)C1CCN(c2ccccc2Cl)C1=O.Cl
InChIInChI=1S/C20H22ClN3O2.ClH/c1-23(19(25)13-16(22)14-7-3-2-4-8-14)18-11-12-24(20(18)26)17-10-6-5-9-15(17)21;/h2-10,16,18H,11-13,22H2,1H3;1H
InChIKeyJYKXZWLOSLNQNE-UHFFFAOYSA-N
MW408.33 g/mol
LogP3.42
Rot. Bonds5

About 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119951461) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119951461
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
SMILESCN(C(=O)CC(N)c1ccccc1)C1CCN(c2ccccc2Cl)C1=O.Cl
InChIInChI=1S/C20H22ClN3O2.ClH/c1-23(19(25)13-16(22)14-7-3-2-4-8-14)18-11-12-24(20(18)26)17-10-6-5-9-15(17)21;/h2-10,16,18H,11-13,22H2,1H3;1H
InChIKeyJYKXZWLOSLNQNE-UHFFFAOYSA-N
XLogP3.42
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride
CID 119783358
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119951523
2-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-phenylacetamide;hydrochloride
CID 119323471
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-(methylamino)acetamide
CID 119783339
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783362
(2R)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide
CID 124594987
(2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide
CID 124594983
(2S)-2-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 124694500
3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414900
1-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124590941
9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990399
5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide
CID 124684296

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride (CID 119951461) is 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride is CN(C(=O)CC(N)c1ccccc1)C1CCN(c2ccccc2Cl)C1=O.Cl.
What is the InChIKey of 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is JYKXZWLOSLNQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2.ClH/c1-23(19(25)13-16(22)14-7-3-2-4-8-14)18-11-12-24(20(18)26)17-10-6-5-9-15(17)21;/h2-10,16,18H,11-13,22H2,1H3;1H.
What are the key properties of 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 408.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119951461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).