2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide

C19H20F2N2O — CID 51931088

IUPAC2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCC1)c1c(F)cccc1F
InChIInChI=1S/C19H20F2N2O/c20-15-9-6-10-16(21)18(15)19(24)22-13-17(23-11-4-5-12-23)14-7-2-1-3-8-14/h1-3,6-10,17H,4-5,11-13H2,(H,22,24)/t17-/m1/s1
InChIKeyQBWKHXRGCUZMRG-QGZVFWFLSA-N
MW330.38 g/mol
LogP3.53
Rot. Bonds5

About 2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide

2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 51931088) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID51931088
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCC1)c1c(F)cccc1F
InChIInChI=1S/C19H20F2N2O/c20-15-9-6-10-16(21)18(15)19(24)22-13-17(23-11-4-5-12-23)14-7-2-1-3-8-14/h1-3,6-10,17H,4-5,11-13H2,(H,22,24)/t17-/m1/s1
InChIKeyQBWKHXRGCUZMRG-QGZVFWFLSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2,6-difluorobenzamide
CID 7496297
2,6-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 112503241
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51710589
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951537
2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951546
3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide
CID 99973037
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide
CID 7496319
2-chloro-4-fluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 26007854
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504562
2-(3-fluorophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179557
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide
CID 7496717

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide (CID 51931088) is 2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide is O=C(NC[C@H](c1ccccc1)N1CCCC1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is QBWKHXRGCUZMRG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20F2N2O/c20-15-9-6-10-16(21)18(15)19(24)22-13-17(23-11-4-5-12-23)14-7-2-1-3-8-14/h1-3,6-10,17H,4-5,11-13H2,(H,22,24)/t17-/m1/s1.
What are the key properties of 2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 330.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 51931088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).