N-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C14H16BrClN2O2 — CID 2952136

IUPACN-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O
InChIInChI=1S/C14H16BrClN2O2/c1-8(2)18-7-9(5-13(18)19)14(20)17-10-3-4-11(15)12(16)6-10/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,20)
InChIKeyAEILPZOZSYMSEF-UHFFFAOYSA-N
MW359.65 g/mol
LogP3.30
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 2952136) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID2952136
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC NameN-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O
InChIInChI=1S/C14H16BrClN2O2/c1-8(2)18-7-9(5-13(18)19)14(20)17-10-3-4-11(15)12(16)6-10/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,20)
InChIKeyAEILPZOZSYMSEF-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 2952136) is N-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is AEILPZOZSYMSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c1-8(2)18-7-9(5-13(18)19)14(20)17-10-3-4-11(15)12(16)6-10/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,20).
What are the key properties of N-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 359.65 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 2952136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).