(2S)-2-[4-(3-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide

C14H17BrN2O2 — CID 9880341

IUPAC(2S)-2-[4-(3-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCC[C@@H](C(=O)N)N1CC(CC1=O)C2=CC(=CC=C2)Br
InChIInChI=1S/C14H17BrN2O2/c1-2-12(14(16)19)17-8-10(7-13(17)18)9-4-3-5-11(15)6-9/h3-6,10,12H,2,7-8H2,1H3,(H2,16,19)/t10?,12-/m0/s1
InChIKeyZAUOGJBDPVSTPS-KFJBMODSSA-N
MW325.20 g/mol
LogP1.70
Rot. Bonds4

About (2S)-2-[4-(3-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide

(2S)-2-[4-(3-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 9880341) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is (2S)-2-[4-(3-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-[4-(3-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide
PubChem CID9880341
Molecular FormulaC14H17BrN2O2
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC Name(2S)-2-[4-(3-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCC[C@@H](C(=O)N)N1CC(CC1=O)C2=CC(=CC=C2)Br
InChIInChI=1S/C14H17BrN2O2/c1-2-12(14(16)19)17-8-10(7-13(17)18)9-4-3-5-11(15)6-9/h3-6,10,12H,2,7-8H2,1H3,(H2,16,19)/t10?,12-/m0/s1
InChIKeyZAUOGJBDPVSTPS-KFJBMODSSA-N
XLogP1.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity361

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[4-(3-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fonturacetam
CID 132441
Hydantoin, 5-(m-bromobenzyl)-3-methyl-
CID 53521
(2S,3S)-3-(4-bromophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895802
(2S,3S)-2-amino-3-(4-bromophenyl)-1-((S)-3-fluoropyrrolidin-1-yl)butan-1-one
CID 10087948
Methylphenylpiracetam
CID 52912210
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-phenylbutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895791
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 3380749
(2S,3S)-2-amino-3-(4-bromophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetic acid
CID 49797047
(2S)-1-[(2S)-2-amino-3-(4-bromophenyl)propanoyl]pyrrolidine-2-carbonitrile
CID 72697210
(2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[(3-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 90663112
N-[(2S)-3-(3-bromophenyl)-1-[[(3E,5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-1-oxopropan-2-yl]decanamide
CID 122194568
cyclo[Leu-Leu-Val-Leu-N(Me)Phe(4-Br)]
CID 11181486

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(3-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of (2S)-2-[4-(3-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide (CID 9880341) is (2S)-2-[4-(3-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for (2S)-2-[4-(3-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for (2S)-2-[4-(3-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide is CC[C@@H](C(=O)N)N1CC(CC1=O)C2=CC(=CC=C2)Br.
What is the InChIKey of (2S)-2-[4-(3-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is ZAUOGJBDPVSTPS-KFJBMODSSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-2-12(14(16)19)17-8-10(7-13(17)18)9-4-3-5-11(15)6-9/h3-6,10,12H,2,7-8H2,1H3,(H2,16,19)/t10?,12-/m0/s1.
What are the key properties of (2S)-2-[4-(3-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide?
(2S)-2-[4-(3-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 325.20 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(3-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 9880341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).