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

C14H17BrN2O2 — CID 22387105

IUPAC2-[4-(2-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(c2ccccc2Br)CC1=O
InChIInChI=1S/C14H17BrN2O2/c1-2-12(14(16)19)17-8-9(7-13(17)18)10-5-3-4-6-11(10)15/h3-6,9,12H,2,7-8H2,1H3,(H2,16,19)
InChIKeyCMGYTWWVFFCIAP-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.03
Rot. Bonds4

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

2-[4-(2-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 22387105) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide
PubChem CID22387105
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name2-[4-(2-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(c2ccccc2Br)CC1=O
InChIInChI=1S/C14H17BrN2O2/c1-2-12(14(16)19)17-8-9(7-13(17)18)10-5-3-4-6-11(10)15/h3-6,9,12H,2,7-8H2,1H3,(H2,16,19)
InChIKeyCMGYTWWVFFCIAP-UHFFFAOYSA-N
XLogP2.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(2-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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[4-(2-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide (CID 22387105) is 2-[4-(2-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[4-(2-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[4-(2-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide is CCC(C(N)=O)N1CC(c2ccccc2Br)CC1=O.
What is the InChIKey of 2-[4-(2-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is CMGYTWWVFFCIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-2-12(14(16)19)17-8-9(7-13(17)18)10-5-3-4-6-11(10)15/h3-6,9,12H,2,7-8H2,1H3,(H2,16,19).
What are the key properties of 2-[4-(2-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide?
2-[4-(2-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 325.21 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 22387105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).