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

C15H20ClN3O2 — CID 120500650

IUPAC3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NC1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C15H20ClN3O2/c1-9(10(2)17)14(20)18-12-7-8-19(15(12)21)13-6-4-3-5-11(13)16/h3-6,9-10,12H,7-8,17H2,1-2H3,(H,18,20)
InChIKeyVKUPGEIZENPDEQ-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.54
Rot. Bonds4

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

3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide (PubChem CID 120500650) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide
PubChem CID120500650
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NC1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C15H20ClN3O2/c1-9(10(2)17)14(20)18-12-7-8-19(15(12)21)13-6-4-3-5-11(13)16/h3-6,9-10,12H,7-8,17H2,1-2H3,(H,18,20)
InChIKeyVKUPGEIZENPDEQ-UHFFFAOYSA-N
XLogP1.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide
CID 97000579
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-phenylacetamide;hydrochloride
CID 119334565
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide
CID 136527689
N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 95322197
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119779533
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794855
(2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide
CID 119785333
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 95619997
1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 154748467
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-cyclopropyl-2-methoxypropanamide
CID 136543947
(3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one
CID 11128620
3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122065578

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide (CID 120500650) is 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide is CC(N)C(C)C(=O)NC1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide?
The InChIKey is VKUPGEIZENPDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-9(10(2)17)14(20)18-12-7-8-19(15(12)21)13-6-4-3-5-11(13)16/h3-6,9-10,12H,7-8,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide?
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide has a molecular weight of 309.80 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 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]-2-methylbutanamide is sourced from PubChem (CID 120500650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).