N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide

C12H14BrFN2O — CID 113452141

IUPACN-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C12H14BrFN2O/c13-10-6-9(1-2-11(10)14)16-12(17)5-8-3-4-15-7-8/h1-2,6,8,15H,3-5,7H2,(H,16,17)
InChIKeyNNXFUYNQJGRFER-UHFFFAOYSA-N
MW301.16 g/mol
LogP2.53
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide

N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide (PubChem CID 113452141) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide
PubChem CID113452141
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC NameN-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C12H14BrFN2O/c13-10-6-9(1-2-11(10)14)16-12(17)5-8-3-4-15-7-8/h1-2,6,8,15H,3-5,7H2,(H,16,17)
InChIKeyNNXFUYNQJGRFER-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

N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 115870611
N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 107600000
N-(3-fluoro-4-methylphenyl)-2-piperidin-4-ylacetamide
CID 24690499
N-(6-fluoro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 104954698
N-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 114050443
2-pyrrolidin-3-yl-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107641614
N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide
CID 107611674
N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
CID 119281108
N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 115746725
N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 58770019
N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide
CID 115160286
3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine
CID 84713269

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide (CID 113452141) is N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide is O=C(CC1CCNC1)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide?
The InChIKey is NNXFUYNQJGRFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c13-10-6-9(1-2-11(10)14)16-12(17)5-8-3-4-15-7-8/h1-2,6,8,15H,3-5,7H2,(H,16,17).
What are the key properties of N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide?
N-(3-bromo-4-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-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 113452141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).