4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide

C19H29FN2O — CID 67773776

IUPAC4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide
SMILESCc1cc(C(=O)N(C)[C@H](CCN2CCCC2)C(C)C)ccc1F
InChIInChI=1S/C19H29FN2O/c1-14(2)18(9-12-22-10-5-6-11-22)21(4)19(23)16-7-8-17(20)15(3)13-16/h7-8,13-14,18H,5-6,9-12H2,1-4H3/t18-/m1/s1
InChIKeyXCMFJODOATWCTA-GOSISDBHSA-N
MW320.45 g/mol
LogP3.72
Rot. Bonds6

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

4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide (PubChem CID 67773776) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide
PubChem CID67773776
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC Name4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide
SMILESCc1cc(C(=O)N(C)[C@H](CCN2CCCC2)C(C)C)ccc1F
InChIInChI=1S/C19H29FN2O/c1-14(2)18(9-12-22-10-5-6-11-22)21(4)19(23)16-7-8-17(20)15(3)13-16/h7-8,13-14,18H,5-6,9-12H2,1-4H3/t18-/m1/s1
InChIKeyXCMFJODOATWCTA-GOSISDBHSA-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
2,2-dihydroxybutanedioic acid;4-fluoro-N,3-dimethyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 67774412
4-fluoro-N-[(2S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-2-yl]-N,3-dimethylbenzamide
CID 67772635
N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773094
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
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231
N-(1-chloropropan-2-yl)-4-fluoro-N,3-dimethylbenzamide
CID 104555665
1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 82122225
4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 63212442
3,4-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylbenzamide
CID 67773903

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide?
The IUPAC name of 4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide (CID 67773776) is 4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide is Cc1cc(C(=O)N(C)[C@H](CCN2CCCC2)C(C)C)ccc1F.
What is the InChIKey of 4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide?
The InChIKey is XCMFJODOATWCTA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-14(2)18(9-12-22-10-5-6-11-22)21(4)19(23)16-7-8-17(20)15(3)13-16/h7-8,13-14,18H,5-6,9-12H2,1-4H3/t18-/m1/s1.
What are the key properties of 4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide?
4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-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-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide is sourced from PubChem (CID 67773776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).