2-[(3S,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide

C16H21BrN2O2 — CID 53240013

IUPAC2-[(3S,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide
SMILESCCC[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@H]1CC(=O)NC
InChIInChI=1S/C16H21BrN2O2/c1-3-4-11-10-19(13-7-5-12(17)6-8-13)16(21)14(11)9-15(20)18-2/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,18,20)/t11-,14-/m0/s1
InChIKeyCFKPSJINGJVDKY-FZMZJTMJSA-N
MW353.26 g/mol
LogP2.96
Rot. Bonds5

About 2-[(3S,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide

2-[(3S,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide (PubChem CID 53240013) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 2-[(3S,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3S,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide
PubChem CID53240013
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name2-[(3S,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide
SMILESCCC[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@H]1CC(=O)NC
InChIInChI=1S/C16H21BrN2O2/c1-3-4-11-10-19(13-7-5-12(17)6-8-13)16(21)14(11)9-15(20)18-2/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,18,20)/t11-,14-/m0/s1
InChIKeyCFKPSJINGJVDKY-FZMZJTMJSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide
CID 46902961
2-[(3S,4R)-1-benzyl-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide
CID 53239998
2-[(3R,4S)-4-(4-bromophenyl)-1-cyclohexyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
CID 46903027
2-[(3R,4R)-4-benzyl-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide
CID 25011682
1-(4-bromophenyl)-3-hydroxyazetidin-2-one
CID 141314029
N-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-1-butyl-2-oxopyrrolidin-3-yl]acetamide
CID 46903038
(3R)-3-amino-1-(4-bromophenyl)azetidin-2-one
CID 124678513
1-(4-bromophenyl)-3-(2-hydroxyethyl)-6-methyl-1,4-diazepan-2-one
CID 84608069
1-(4-phosphanylphenyl)-3-propylazetidin-2-one
CID 143276517
[(3S,5S)-1-(4-bromophenyl)-5-hydroxy-2-oxopiperidin-3-yl]carbamic acid
CID 137357063
2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
CID 46902924
1-(4-bromophenyl)-3-(hydroxymethyl)-4,6-dimethyl-1,4-diazepan-2-one
CID 84608075

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[(3S,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide (CID 53240013) is 2-[(3S,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3S,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3S,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide is CCC[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@H]1CC(=O)NC.
What is the InChIKey of 2-[(3S,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is CFKPSJINGJVDKY-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-3-4-11-10-19(13-7-5-12(17)6-8-13)16(21)14(11)9-15(20)18-2/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,18,20)/t11-,14-/m0/s1.
What are the key properties of 2-[(3S,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide?
2-[(3S,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 353.26 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-1-(4-bromophenyl)-2-oxo-4-propylpyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 53240013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).