2-(3,4-difluorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide

C18H26F2N2O — CID 15130810

IUPAC2-(3,4-difluorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C18H26F2N2O/c1-13(2)17(12-22-8-4-5-9-22)21(3)18(23)11-14-6-7-15(19)16(20)10-14/h6-7,10,13,17H,4-5,8-9,11-12H2,1-3H3/t17-/m1/s1
InChIKeyXWNZCHYKJHAFAX-QGZVFWFLSA-N
MW324.42 g/mol
LogP3.09
Rot. Bonds6

About 2-(3,4-difluorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide

2-(3,4-difluorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide (PubChem CID 15130810) has the molecular formula C18H26F2N2O and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide
PubChem CID15130810
Molecular FormulaC18H26F2N2O
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name2-(3,4-difluorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C18H26F2N2O/c1-13(2)17(12-22-8-4-5-9-22)21(3)18(23)11-14-6-7-15(19)16(20)10-14/h6-7,10,13,17H,4-5,8-9,11-12H2,1-3H3/t17-/m1/s1
InChIKeyXWNZCHYKJHAFAX-QGZVFWFLSA-N
XLogP3.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide (CID 15130810) is 2-(3,4-difluorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide is CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The InChIKey is XWNZCHYKJHAFAX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26F2N2O/c1-13(2)17(12-22-8-4-5-9-22)21(3)18(23)11-14-6-7-15(19)16(20)10-14/h6-7,10,13,17H,4-5,8-9,11-12H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-(3,4-difluorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
2-(3,4-difluorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 15130810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).