N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide

C11H12BrF2N3O — CID 66673305

IUPACN-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide
SMILESO=C(N[C@H]1CCN(c2ccc(Br)cn2)C1)C(F)F
InChIInChI=1S/C11H12BrF2N3O/c12-7-1-2-9(15-5-7)17-4-3-8(6-17)16-11(18)10(13)14/h1-2,5,8,10H,3-4,6H2,(H,16,18)/t8-/m0/s1
InChIKeyQFQARKJDBBAPJI-QMMMGPOBSA-N
MW320.14 g/mol
LogP1.80
Rot. Bonds3

About N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide

N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide (PubChem CID 66673305) has the molecular formula C11H12BrF2N3O and a molecular weight of 320.14 g/mol. Its IUPAC name is N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide
PubChem CID66673305
Molecular FormulaC11H12BrF2N3O
Molecular Weight320.14 g/mol
Exact Mass319.01
IUPAC NameN-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide
SMILESO=C(N[C@H]1CCN(c2ccc(Br)cn2)C1)C(F)F
InChIInChI=1S/C11H12BrF2N3O/c12-7-1-2-9(15-5-7)17-4-3-8(6-17)16-11(18)10(13)14/h1-2,5,8,10H,3-4,6H2,(H,16,18)/t8-/m0/s1
InChIKeyQFQARKJDBBAPJI-QMMMGPOBSA-N
XLogP1.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171992718
N-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide
CID 146241785
N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993788
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide
CID 140574461
3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142698
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
N-[1-(5-bromo-2-pyridinyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440255
[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407883
5-bromo-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 124892505
3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79098403
1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 67293554

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide?
The IUPAC name of N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide (CID 66673305) is N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide?
The canonical SMILES for N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide is O=C(N[C@H]1CCN(c2ccc(Br)cn2)C1)C(F)F.
What is the InChIKey of N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide?
The InChIKey is QFQARKJDBBAPJI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12BrF2N3O/c12-7-1-2-9(15-5-7)17-4-3-8(6-17)16-11(18)10(13)14/h1-2,5,8,10H,3-4,6H2,(H,16,18)/t8-/m0/s1.
What are the key properties of N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide?
N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide has a molecular weight of 320.14 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 66673305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).