4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide

C19H29FN2O — CID 77352384

IUPAC4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide
SMILESCCC(C)C(CN1CCCC1)N(C)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C19H29FN2O/c1-5-14(2)18(13-22-10-6-7-11-22)21(4)19(23)16-8-9-17(20)15(3)12-16/h8-9,12,14,18H,5-7,10-11,13H2,1-4H3
InChIKeyDWJNJDTZUNTUAT-UHFFFAOYSA-N
MW320.45 g/mol
LogP3.72
Rot. Bonds6

About 4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide

4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide (PubChem CID 77352384) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide
PubChem CID77352384
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC Name4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide
SMILESCCC(C)C(CN1CCCC1)N(C)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C19H29FN2O/c1-5-14(2)18(13-22-10-6-7-11-22)21(4)19(23)16-8-9-17(20)15(3)12-16/h8-9,12,14,18H,5-7,10-11,13H2,1-4H3
InChIKeyDWJNJDTZUNTUAT-UHFFFAOYSA-N
XLogP3.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide
CID 67773483
N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773094
4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide
CID 67773776
2,2-dihydroxybutanedioic acid;4-fluoro-N,3-dimethyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 67774412
3,4-difluoro-N-[(2S,3S)-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-2-yl]-N-methylbenzamide
CID 57345466
4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773337
N-[1-(4-cyanopiperidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide
CID 67772411
4-fluoro-N-[(2S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-2-yl]-N,3-dimethylbenzamide
CID 67772635
4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 63212442
1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 82122225
N-(1-chloropropan-2-yl)-4-fluoro-N,3-dimethylbenzamide
CID 104555665
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide?
The IUPAC name of 4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide (CID 77352384) is 4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide is CCC(C)C(CN1CCCC1)N(C)C(=O)c1ccc(F)c(C)c1.
What is the InChIKey of 4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide?
The InChIKey is DWJNJDTZUNTUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-5-14(2)18(13-22-10-6-7-11-22)21(4)19(23)16-8-9-17(20)15(3)12-16/h8-9,12,14,18H,5-7,10-11,13H2,1-4H3.
What are the key properties of 4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide?
4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide has a molecular weight of 320.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide is sourced from PubChem (CID 77352384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).