N-(3-bromo-4-fluorophenyl)pyrrolidine-1-carboxamide

C11H12BrFN2O — CID 71991721

IUPACN-(3-bromo-4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)c1)N1CCCC1
InChIInChI=1S/C11H12BrFN2O/c12-9-7-8(3-4-10(9)13)14-11(16)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,14,16)
InChIKeyMTEZCAGMDIZOMX-UHFFFAOYSA-N
MW287.13 g/mol
LogP3.22
Rot. Bonds1

About N-(3-bromo-4-fluorophenyl)pyrrolidine-1-carboxamide

N-(3-bromo-4-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 71991721) has the molecular formula C11H12BrFN2O and a molecular weight of 287.13 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID71991721
Molecular FormulaC11H12BrFN2O
Molecular Weight287.13 g/mol
Exact Mass286.01
IUPAC NameN-(3-bromo-4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)c1)N1CCCC1
InChIInChI=1S/C11H12BrFN2O/c12-9-7-8(3-4-10(9)13)14-11(16)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,14,16)
InChIKeyMTEZCAGMDIZOMX-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)pyrrolidine-1-carboxamide (CID 71991721) is N-(3-bromo-4-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)c(Br)c1)N1CCCC1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is MTEZCAGMDIZOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O/c12-9-7-8(3-4-10(9)13)14-11(16)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,14,16).
What are the key properties of N-(3-bromo-4-fluorophenyl)pyrrolidine-1-carboxamide?
N-(3-bromo-4-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 287.13 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71991721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).