2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide

C21H25FN2O — CID 34951546

IUPAC2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCc1ccc([C@H](CNC(=O)c2ccccc2F)N2CCCCC2)cc1
InChIInChI=1S/C21H25FN2O/c1-16-9-11-17(12-10-16)20(24-13-5-2-6-14-24)15-23-21(25)18-7-3-4-8-19(18)22/h3-4,7-12,20H,2,5-6,13-15H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyQGWYPPTWVMZQIY-FQEVSTJZSA-N
MW340.44 g/mol
LogP4.09
Rot. Bonds5

About 2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide

2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 34951546) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
PubChem CID34951546
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCc1ccc([C@H](CNC(=O)c2ccccc2F)N2CCCCC2)cc1
InChIInChI=1S/C21H25FN2O/c1-16-9-11-17(12-10-16)20(24-13-5-2-6-14-24)15-23-21(25)18-7-3-4-8-19(18)22/h3-4,7-12,20H,2,5-6,13-15H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyQGWYPPTWVMZQIY-FQEVSTJZSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951537
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460592
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-chlorobenzamide;hydrochloride
CID 52984776
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide
CID 7496319
2-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951392
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504562
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985319
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide (CID 34951546) is 2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide is Cc1ccc([C@H](CNC(=O)c2ccccc2F)N2CCCCC2)cc1.
What is the InChIKey of 2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is QGWYPPTWVMZQIY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-16-9-11-17(12-10-16)20(24-13-5-2-6-14-24)15-23-21(25)18-7-3-4-8-19(18)22/h3-4,7-12,20H,2,5-6,13-15H2,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of 2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 340.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 34951546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).