N-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide

C22H25FN2O5 — CID 25390203

IUPACN-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide
SMILESCN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)c2cccc(F)c2)[C@@H](O)[C@H]1O
InChIInChI=1S/C22H25FN2O5/c1-25(13-14-6-3-2-4-7-14)19(26)11-17-20(27)21(28)18(30-17)12-24-22(29)15-8-5-9-16(23)10-15/h2-10,17-18,20-21,27-28H,11-13H2,1H3,(H,24,29)/t17-,18+,20-,21+/m0/s1
InChIKeyCWYIFEKKOGBUPQ-IZZBFERCSA-N
MW416.45 g/mol
LogP1.09
Rot. Bonds7

About N-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide

N-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide (PubChem CID 25390203) has the molecular formula C22H25FN2O5 and a molecular weight of 416.45 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide
PubChem CID25390203
Molecular FormulaC22H25FN2O5
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC NameN-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide
SMILESCN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)c2cccc(F)c2)[C@@H](O)[C@H]1O
InChIInChI=1S/C22H25FN2O5/c1-25(13-14-6-3-2-4-7-14)19(26)11-17-20(27)21(28)18(30-17)12-24-22(29)15-8-5-9-16(23)10-15/h2-10,17-18,20-21,27-28H,11-13H2,1H3,(H,24,29)/t17-,18+,20-,21+/m0/s1
InChIKeyCWYIFEKKOGBUPQ-IZZBFERCSA-N
XLogP1.09
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R,3S,4S,5R)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 162809360
N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide
CID 162875462
N-benzyl-2-[(2R,3R,4S,5R)-5-[(cyclohexylcarbamoylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-N-methylacetamide
CID 162808479
N-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide
CID 40780658
N-benzyl-2-[(2R,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-methylacetamide
CID 162805825
N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide
CID 74577842
N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]oxolan-2-yl]methyl]-3-fluorobenzamide
CID 25390449
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-benzyl-2-[(2S,3R,4S,5S)-5-[[4-[[benzyl(methyl)amino]methyl]triazol-1-yl]methyl]-3,4-dihydroxyoxolan-2-yl]-N-methylacetamide
CID 162828848
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 30905036
N-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 27827538
3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054548

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide (CID 25390203) is N-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide is CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)c2cccc(F)c2)[C@@H](O)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide?
The InChIKey is CWYIFEKKOGBUPQ-IZZBFERCSA-N. The full InChI is InChI=1S/C22H25FN2O5/c1-25(13-14-6-3-2-4-7-14)19(26)11-17-20(27)21(28)18(30-17)12-24-22(29)15-8-5-9-16(23)10-15/h2-10,17-18,20-21,27-28H,11-13H2,1H3,(H,24,29)/t17-,18+,20-,21+/m0/s1.
What are the key properties of N-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide?
N-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide has a molecular weight of 416.45 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 25390203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).