N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide

C12H14BrFN2O — CID 107600000

IUPACN-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)Nc1c(F)cccc1Br
InChIInChI=1S/C12H14BrFN2O/c13-9-2-1-3-10(14)12(9)16-11(17)6-8-4-5-15-7-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyPIKJWGLYBXFBHB-UHFFFAOYSA-N
MW301.16 g/mol
LogP2.53
Rot. Bonds3

About N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide

N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide (PubChem CID 107600000) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide
PubChem CID107600000
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC NameN-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)Nc1c(F)cccc1Br
InChIInChI=1S/C12H14BrFN2O/c13-9-2-1-3-10(14)12(9)16-11(17)6-8-4-5-15-7-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyPIKJWGLYBXFBHB-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107641614
N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 113452141
N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide
CID 81494966
N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide
CID 114254707
2-(azetidin-3-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 64616549
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide
CID 79607934
N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide
CID 107680976
N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide
CID 107611674
N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 114050904
N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide
CID 107599839
N-(6-fluoro-2-pyridinyl)-2-piperidin-3-ylacetamide
CID 116813334
N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119673443

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide (CID 107600000) is N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide is O=C(CC1CCNC1)Nc1c(F)cccc1Br.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide?
The InChIKey is PIKJWGLYBXFBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c13-9-2-1-3-10(14)12(9)16-11(17)6-8-4-5-15-7-8/h1-3,8,15H,4-7H2,(H,16,17).
What are the key properties of N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide?
N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide has a molecular weight of 301.16 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 107600000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).