N-(3-bromo-2-chlorophenyl)-4-fluoropyrrolidine-2-carboxamide

C11H11BrClFN2O — CID 140776852

IUPACN-(3-bromo-2-chlorophenyl)-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1Cl)C1CC(F)CN1
InChIInChI=1S/C11H11BrClFN2O/c12-7-2-1-3-8(10(7)13)16-11(17)9-4-6(14)5-15-9/h1-3,6,9,15H,4-5H2,(H,16,17)
InChIKeyGXFIPIMANUEHSJ-UHFFFAOYSA-N
MW321.58 g/mol
LogP2.74
Rot. Bonds2

About N-(3-bromo-2-chlorophenyl)-4-fluoropyrrolidine-2-carboxamide

N-(3-bromo-2-chlorophenyl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 140776852) has the molecular formula C11H11BrClFN2O and a molecular weight of 321.58 g/mol. Its IUPAC name is N-(3-bromo-2-chlorophenyl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-chlorophenyl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID140776852
Molecular FormulaC11H11BrClFN2O
Molecular Weight321.58 g/mol
Exact Mass319.97
IUPAC NameN-(3-bromo-2-chlorophenyl)-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1Cl)C1CC(F)CN1
InChIInChI=1S/C11H11BrClFN2O/c12-7-2-1-3-8(10(7)13)16-11(17)9-4-6(14)5-15-9/h1-3,6,9,15H,4-5H2,(H,16,17)
InChIKeyGXFIPIMANUEHSJ-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.58
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-chlorophenyl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of N-(3-bromo-2-chlorophenyl)-4-fluoropyrrolidine-2-carboxamide (CID 140776852) is N-(3-bromo-2-chlorophenyl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-2-chlorophenyl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-bromo-2-chlorophenyl)-4-fluoropyrrolidine-2-carboxamide is O=C(Nc1cccc(Br)c1Cl)C1CC(F)CN1.
What is the InChIKey of N-(3-bromo-2-chlorophenyl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is GXFIPIMANUEHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFN2O/c12-7-2-1-3-8(10(7)13)16-11(17)9-4-6(14)5-15-9/h1-3,6,9,15H,4-5H2,(H,16,17).
What are the key properties of N-(3-bromo-2-chlorophenyl)-4-fluoropyrrolidine-2-carboxamide?
N-(3-bromo-2-chlorophenyl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 321.58 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-chlorophenyl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 140776852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).