2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide

C20H23FN2O2 — CID 167941997

IUPAC2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCC3CNC(C)C3)c(F)c2)cc1
InChIInChI=1S/C20H23FN2O2/c1-13-9-14(11-22-13)12-23-20(24)18-8-5-16(10-19(18)21)15-3-6-17(25-2)7-4-15/h3-8,10,13-14,22H,9,11-12H2,1-2H3,(H,23,24)
InChIKeyAEJDGWHVTACWMF-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.23
Rot. Bonds5

About 2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide

2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 167941997) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide
PubChem CID167941997
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCC3CNC(C)C3)c(F)c2)cc1
InChIInChI=1S/C20H23FN2O2/c1-13-9-14(11-22-13)12-23-20(24)18-8-5-16(10-19(18)21)15-3-6-17(25-2)7-4-15/h3-8,10,13-14,22H,9,11-12H2,1-2H3,(H,23,24)
InChIKeyAEJDGWHVTACWMF-UHFFFAOYSA-N
XLogP3.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512916
ethane;2-fluoro-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide
CID 171817523
N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide
CID 119997586
2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 113228962
N-(3-amino-2-methylpropyl)-2-fluoro-4-(4-methoxyphenyl)benzamide;hydrochloride
CID 119997585
N-[(3-bromocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106128879
N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106123955
2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 113222377
2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 102882405
2-fluoro-4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 154794863
2-methoxy-5-methyl-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63009230
2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 102882104

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide (CID 167941997) is 2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide is COc1ccc(-c2ccc(C(=O)NCC3CNC(C)C3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is AEJDGWHVTACWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-13-9-14(11-22-13)12-23-20(24)18-8-5-16(10-19(18)21)15-3-6-17(25-2)7-4-15/h3-8,10,13-14,22H,9,11-12H2,1-2H3,(H,23,24).
What are the key properties of 2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide?
2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 342.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methoxyphenyl)-N-[(5-methylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 167941997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).