N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide

C19H29FN2O — CID 67773094

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

About N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide

N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide (PubChem CID 67773094) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
PubChem CID67773094
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC NameN-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(F)c(C)c1)C(CN1CCCC1)C(C)C
InChIInChI=1S/C19H29FN2O/c1-5-22(18(14(2)3)13-21-10-6-7-11-21)19(23)16-8-9-17(20)15(4)12-16/h8-9,12,14,18H,5-7,10-11,13H2,1-4H3
InChIKeyHWAHUGDLHDMUHC-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
4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide
CID 77352384
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
1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 82122225
N-[1-(4-cyanopiperidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide
CID 67772411
4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773337
4-fluoro-N-[(2S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-2-yl]-N,3-dimethylbenzamide
CID 67772635
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
N-(1-chloropropan-2-yl)-4-fluoro-N,3-dimethylbenzamide
CID 104555665
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231
N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide
CID 67773038

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide?
The IUPAC name of N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide (CID 67773094) is N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide.
What is the SMILES notation for N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide?
The canonical SMILES for N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide is CCN(C(=O)c1ccc(F)c(C)c1)C(CN1CCCC1)C(C)C.
What is the InChIKey of N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide?
The InChIKey is HWAHUGDLHDMUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-5-22(18(14(2)3)13-21-10-6-7-11-21)19(23)16-8-9-17(20)15(4)12-16/h8-9,12,14,18H,5-7,10-11,13H2,1-4H3.
What are the key properties of N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide?
N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-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 N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide is sourced from PubChem (CID 67773094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).