N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide

C12H13BrF2N2O — CID 102853687

IUPACN-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C12H13BrF2N2O/c13-8-5-11(10(15)6-9(8)14)17-12(18)4-7-2-1-3-16-7/h5-7,16H,1-4H2,(H,17,18)
InChIKeyGFUHOTOOYMKSGA-UHFFFAOYSA-N
MW319.15 g/mol
LogP2.81
Rot. Bonds3

About N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide

N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 102853687) has the molecular formula C12H13BrF2N2O and a molecular weight of 319.15 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide
PubChem CID102853687
Molecular FormulaC12H13BrF2N2O
Molecular Weight319.15 g/mol
Exact Mass318.02
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C12H13BrF2N2O/c13-8-5-11(10(15)6-9(8)14)17-12(18)4-7-2-1-3-16-7/h5-7,16H,1-4H2,(H,17,18)
InChIKeyGFUHOTOOYMKSGA-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide
CID 102853805
N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 107611652
N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide
CID 81270551
N-(2-bromophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371785
2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide
CID 102853698
N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61364257
N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide
CID 114209112
N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide
CID 107611674
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-piperidin-2-ylacetamide
CID 63047528
N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 119833790
N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide
CID 102853789
N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 102853722

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide (CID 102853687) is N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1cc(Br)c(F)cc1F.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is GFUHOTOOYMKSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N2O/c13-8-5-11(10(15)6-9(8)14)17-12(18)4-7-2-1-3-16-7/h5-7,16H,1-4H2,(H,17,18).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide?
N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 319.15 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 102853687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).