N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

C22H27FN2O3 — CID 34962763

IUPACN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(F)c1
InChIInChI=1S/C22H27FN2O3/c1-25(2)21(17-5-3-6-18(23)13-17)14-24-22(26)16-8-10-19(11-9-16)28-15-20-7-4-12-27-20/h3,5-6,8-11,13,20-21H,4,7,12,14-15H2,1-2H3,(H,24,26)/t20-,21-/m0/s1
InChIKeyNAWFLTCIXOAGSP-SFTDATJTSA-N
MW386.47 g/mol
LogP3.42
Rot. Bonds8

About N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (PubChem CID 34962763) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
PubChem CID34962763
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(F)c1
InChIInChI=1S/C22H27FN2O3/c1-25(2)21(17-5-3-6-18(23)13-17)14-24-22(26)16-8-10-19(11-9-16)28-15-20-7-4-12-27-20/h3,5-6,8-11,13,20-21H,4,7,12,14-15H2,1-2H3,(H,24,26)/t20-,21-/m0/s1
InChIKeyNAWFLTCIXOAGSP-SFTDATJTSA-N
XLogP3.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 32729367
N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044138
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24640053
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 32629427
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 51968449
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
3-fluoro-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 42427188
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 42961557
N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4877901
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
CID 86925767
4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1R)-1-phenylpropyl]benzamide
CID 93234589

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (CID 34962763) is N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is CN(C)[C@@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(F)c1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is NAWFLTCIXOAGSP-SFTDATJTSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-25(2)21(17-5-3-6-18(23)13-17)14-24-22(26)16-8-10-19(11-9-16)28-15-20-7-4-12-27-20/h3,5-6,8-11,13,20-21H,4,7,12,14-15H2,1-2H3,(H,24,26)/t20-,21-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 386.47 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 34962763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).