2-[(2R,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide

C20H23FN2O4 — CID 162797085

IUPAC2-[(2R,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide
SMILESO=C(C[C@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O)Nc1ccccc1
InChIInChI=1S/C20H23FN2O4/c21-14-8-6-13(7-9-14)11-22-12-17-20(26)19(25)16(27-17)10-18(24)23-15-4-2-1-3-5-15/h1-9,16-17,19-20,22,25-26H,10-12H2,(H,23,24)/t16-,17-,19+,20-/m1/s1
InChIKeyNNLDIZFDNXBPLI-IZBJGVDFSA-N
MW374.41 g/mol
LogP1.43
Rot. Bonds7

About 2-[(2R,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide

2-[(2R,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide (PubChem CID 162797085) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-[(2R,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2R,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide
PubChem CID162797085
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name2-[(2R,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide
SMILESO=C(C[C@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O)Nc1ccccc1
InChIInChI=1S/C20H23FN2O4/c21-14-8-6-13(7-9-14)11-22-12-17-20(26)19(25)16(27-17)10-18(24)23-15-4-2-1-3-5-15/h1-9,16-17,19-20,22,25-26H,10-12H2,(H,23,24)/t16-,17-,19+,20-/m1/s1
InChIKeyNNLDIZFDNXBPLI-IZBJGVDFSA-N
XLogP1.43
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 40781621
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 26744662
2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide
CID 163094034
2-[3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 74451304
2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 25390109
2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 44716537
methyl 4-[[(2S,3S,4R,5S)-5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methylamino]-4-oxobutanoate
CID 163132528
N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]acetamide
CID 40777917
2-[4-[(4-fluorophenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852473
N-[[(2S,3S,4R,5S)-5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-4-methoxybenzamide
CID 162857829
3-[4-[[2-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetyl]amino]phenyl]propanoic acid
CID 102015544
2-[(2S,3R,4S,5R)-5-[[4-[[benzyl(methyl)amino]methyl]triazol-1-yl]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide
CID 40777960

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[(2R,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide (CID 162797085) is 2-[(2R,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2R,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(2R,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide is O=C(C[C@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O)Nc1ccccc1.
What is the InChIKey of 2-[(2R,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide?
The InChIKey is NNLDIZFDNXBPLI-IZBJGVDFSA-N. The full InChI is InChI=1S/C20H23FN2O4/c21-14-8-6-13(7-9-14)11-22-12-17-20(26)19(25)16(27-17)10-18(24)23-15-4-2-1-3-5-15/h1-9,16-17,19-20,22,25-26H,10-12H2,(H,23,24)/t16-,17-,19+,20-/m1/s1.
What are the key properties of 2-[(2R,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide?
2-[(2R,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide has a molecular weight of 374.41 g/mol, XLogP of 1.43, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamide is sourced from PubChem (CID 162797085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).