3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide

C22H27FN2O2 — CID 126442048

IUPAC3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCOCCN1CC[C@H](CNC(=O)c2cccc(-c3cc(F)ccc3C)c2)C1
InChIInChI=1S/C22H27FN2O2/c1-16-6-7-20(23)13-21(16)18-4-3-5-19(12-18)22(26)24-14-17-8-9-25(15-17)10-11-27-2/h3-7,12-13,17H,8-11,14-15H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeySGXYOFPDFZWLAR-QGZVFWFLSA-N
MW370.47 g/mol
LogP3.50
Rot. Bonds7

About 3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide

3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 126442048) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID126442048
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCOCCN1CC[C@H](CNC(=O)c2cccc(-c3cc(F)ccc3C)c2)C1
InChIInChI=1S/C22H27FN2O2/c1-16-6-7-20(23)13-21(16)18-4-3-5-19(12-18)22(26)24-14-17-8-9-25(15-17)10-11-27-2/h3-7,12-13,17H,8-11,14-15H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeySGXYOFPDFZWLAR-QGZVFWFLSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide
CID 125176783
3-(3-fluoro-4-hydroxyphenyl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]benzamide
CID 119070143
3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 50982203
N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-(1-methyl-6-oxopyridazin-3-yl)benzamide
CID 122559398
4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744
4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 125166360
3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 124842945
4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]oxane-4-carboxamide
CID 129454122
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(1-methylimidazol-2-yl)benzamide
CID 126448828
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-nitrobenzamide
CID 95293738
(Z)-3-(2,6-difluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]prop-2-enamide
CID 98479465
3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
CID 134423135

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide (CID 126442048) is 3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide is COCCN1CC[C@H](CNC(=O)c2cccc(-c3cc(F)ccc3C)c2)C1.
What is the InChIKey of 3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is SGXYOFPDFZWLAR-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-16-6-7-20(23)13-21(16)18-4-3-5-19(12-18)22(26)24-14-17-8-9-25(15-17)10-11-27-2/h3-7,12-13,17H,8-11,14-15H2,1-2H3,(H,24,26)/t17-/m1/s1.
What are the key properties of 3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide?
3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 370.47 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 126442048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).