N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C11H9BrClFN2O2 — CID 107470607

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2c(Cl)cc(F)cc2Br)CN1
InChIInChI=1S/C11H9BrClFN2O2/c12-7-2-6(14)3-8(13)10(7)16-11(18)5-1-9(17)15-4-5/h2-3,5H,1,4H2,(H,15,17)(H,16,18)
InChIKeyNACXPPNTIXTFBL-UHFFFAOYSA-N
MW335.56 g/mol
LogP2.32
Rot. Bonds2

About N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 107470607) has the molecular formula C11H9BrClFN2O2 and a molecular weight of 335.56 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID107470607
Molecular FormulaC11H9BrClFN2O2
Molecular Weight335.56 g/mol
Exact Mass333.95
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2c(Cl)cc(F)cc2Br)CN1
InChIInChI=1S/C11H9BrClFN2O2/c12-7-2-6(14)3-8(13)10(7)16-11(18)5-1-9(17)15-4-5/h2-3,5H,1,4H2,(H,15,17)(H,16,18)
InChIKeyNACXPPNTIXTFBL-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.56
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 107470607) is N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2c(Cl)cc(F)cc2Br)CN1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NACXPPNTIXTFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClFN2O2/c12-7-2-6(14)3-8(13)10(7)16-11(18)5-1-9(17)15-4-5/h2-3,5H,1,4H2,(H,15,17)(H,16,18).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 335.56 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 107470607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).