(2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide

C11H12BrFN2O — CID 28939511

IUPAC(2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)[C@@H]1CCCN1
InChIInChI=1S/C11H12BrFN2O/c12-8-6-7(13)3-4-9(8)15-11(16)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2,(H,15,16)/t10-/m0/s1
InChIKeyLGRVYSKDFIPLTO-JTQLQIEISA-N
MW287.13 g/mol
LogP2.28
Rot. Bonds2

About (2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide

(2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 28939511) has the molecular formula C11H12BrFN2O and a molecular weight of 287.13 g/mol. Its IUPAC name is (2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide
PubChem CID28939511
Molecular FormulaC11H12BrFN2O
Molecular Weight287.13 g/mol
Exact Mass286.01
IUPAC Name(2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)[C@@H]1CCCN1
InChIInChI=1S/C11H12BrFN2O/c12-8-6-7(13)3-4-9(8)15-11(16)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2,(H,15,16)/t10-/m0/s1
InChIKeyLGRVYSKDFIPLTO-JTQLQIEISA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2-bromo-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 103794703
(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 22691461
N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 110481295
(2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 82015903
(2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide
CID 104914354
(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119674019
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 103794811
N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 103586065
(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
CID 104914544
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide (CID 28939511) is (2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(F)cc1Br)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is LGRVYSKDFIPLTO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12BrFN2O/c12-8-6-7(13)3-4-9(8)15-11(16)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide?
(2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 287.13 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 28939511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).