2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide

C15H20FN3O2 — CID 45217130

IUPAC2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
SMILESCN(C)CC(=O)NC1CC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H20FN3O2/c1-18(2)10-14(20)17-13-7-15(21)19(9-13)8-11-4-3-5-12(16)6-11/h3-6,13H,7-10H2,1-2H3,(H,17,20)
InChIKeyXODCTVNIGZMHGB-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.60
Rot. Bonds5

About 2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide

2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 45217130) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
PubChem CID45217130
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
SMILESCN(C)CC(=O)NC1CC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H20FN3O2/c1-18(2)10-14(20)17-13-7-15(21)19(9-13)8-11-4-3-5-12(16)6-11/h3-6,13H,7-10H2,1-2H3,(H,17,20)
InChIKeyXODCTVNIGZMHGB-UHFFFAOYSA-N
XLogP0.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(methyl)amino]-N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95712178
2-[cyclopentyl(methyl)amino]-N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95712179
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 42303049
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide
CID 95729706
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyridin-3-ylacetamide
CID 42292675
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide
CID 42240654
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclopentanecarboxamide
CID 45202640
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 45246389
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide
CID 45189442
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 95726169
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 42094331
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 42526825

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide (CID 45217130) is 2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide is CN(C)CC(=O)NC1CC(=O)N(Cc2cccc(F)c2)C1.
What is the InChIKey of 2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is XODCTVNIGZMHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-18(2)10-14(20)17-13-7-15(21)19(9-13)8-11-4-3-5-12(16)6-11/h3-6,13H,7-10H2,1-2H3,(H,17,20).
What are the key properties of 2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide?
2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 293.34 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 45217130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).