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

C14H18ClN3O2 — CID 119814144

IUPAC3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide
SMILESCC(N)CC(=O)NC1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C14H18ClN3O2/c1-9(16)7-13(19)17-12-5-6-18(14(12)20)11-4-2-3-10(15)8-11/h2-4,8-9,12H,5-7,16H2,1H3,(H,17,19)
InChIKeyWAKRHQIRXSCCGV-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.30
Rot. Bonds4

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

3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide (PubChem CID 119814144) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide
PubChem CID119814144
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide
SMILESCC(N)CC(=O)NC1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C14H18ClN3O2/c1-9(16)7-13(19)17-12-5-6-18(14(12)20)11-4-2-3-10(15)8-11/h2-4,8-9,12H,5-7,16H2,1H3,(H,17,19)
InChIKeyWAKRHQIRXSCCGV-UHFFFAOYSA-N
XLogP1.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide;hydrochloride
CID 120563803
3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781200
7-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119814105
(2S)-2-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methylsulfanylbutanamide
CID 119341058
N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119814150
N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119497270
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
2-[3-[[1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid
CID 167982774
methyl (2S)-2-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-cyclopropylacetate
CID 125137384
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120551475
N-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
CID 97235838
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)anilino]pyrrolidin-2-one
CID 111824444

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide?
The IUPAC name of 3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide (CID 119814144) is 3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide.
What is the SMILES notation for 3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide?
The canonical SMILES for 3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide is CC(N)CC(=O)NC1CCN(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide?
The InChIKey is WAKRHQIRXSCCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-9(16)7-13(19)17-12-5-6-18(14(12)20)11-4-2-3-10(15)8-11/h2-4,8-9,12H,5-7,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide?
3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide has a molecular weight of 295.77 g/mol, XLogP of 1.30, 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-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide is sourced from PubChem (CID 119814144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).