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

C15H21Cl2N3O2 — CID 119783358

IUPAC3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride
SMILESCC(N)CC(=O)N(C)C1CCN(c2ccccc2Cl)C1=O.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-10(17)9-14(20)18(2)13-7-8-19(15(13)21)12-6-4-3-5-11(12)16;/h3-6,10,13H,7-9,17H2,1-2H3;1H
InChIKeyDKGYTBNYBNKJOR-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.06
Rot. Bonds4

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

3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride (PubChem CID 119783358) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride
PubChem CID119783358
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride
SMILESCC(N)CC(=O)N(C)C1CCN(c2ccccc2Cl)C1=O.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-10(17)9-14(20)18(2)13-7-8-19(15(13)21)12-6-4-3-5-11(12)16;/h3-6,10,13H,7-9,17H2,1-2H3;1H
InChIKeyDKGYTBNYBNKJOR-UHFFFAOYSA-N
XLogP2.06
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.06
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-methyl-3-phenylpropanamide;hydrochloride
CID 119951461
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-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119951523
3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414900
9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990399
1-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124590941
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-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride (CID 119783358) is 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride is CC(N)CC(=O)N(C)C1CCN(c2ccccc2Cl)C1=O.Cl.
What is the InChIKey of 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride?
The InChIKey is DKGYTBNYBNKJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2.ClH/c1-10(17)9-14(20)18(2)13-7-8-19(15(13)21)12-6-4-3-5-11(12)16;/h3-6,10,13H,7-9,17H2,1-2H3;1H.
What are the key properties of 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride?
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride has a molecular weight of 346.26 g/mol, XLogP of 2.06, 4 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-methylbutanamide;hydrochloride is sourced from PubChem (CID 119783358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).