N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide

C17H23FN2O5 — CID 162875462

IUPACN-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide
SMILESCC(C)NC(=O)C[C@H]1O[C@H](CNC(=O)c2cccc(F)c2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H23FN2O5/c1-9(2)20-14(21)7-12-15(22)16(23)13(25-12)8-19-17(24)10-4-3-5-11(18)6-10/h3-6,9,12-13,15-16,22-23H,7-8H2,1-2H3,(H,19,24)(H,20,21)/t12-,13-,15+,16-/m1/s1
InChIKeyGCSIXLIQYXQUJE-LUYZLQTOSA-N
MW354.38 g/mol
LogP-0.04
Rot. Bonds6

About N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide

N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide (PubChem CID 162875462) has the molecular formula C17H23FN2O5 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide
PubChem CID162875462
Molecular FormulaC17H23FN2O5
Molecular Weight354.38 g/mol
Exact Mass354.16
IUPAC NameN-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide
SMILESCC(C)NC(=O)C[C@H]1O[C@H](CNC(=O)c2cccc(F)c2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H23FN2O5/c1-9(2)20-14(21)7-12-15(22)16(23)13(25-12)8-19-17(24)10-4-3-5-11(18)6-10/h3-6,9,12-13,15-16,22-23H,7-8H2,1-2H3,(H,19,24)(H,20,21)/t12-,13-,15+,16-/m1/s1
InChIKeyGCSIXLIQYXQUJE-LUYZLQTOSA-N
XLogP-0.04
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide
CID 40777833
N-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide
CID 25390203
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-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide
CID 40780658
2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 44716537
N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide
CID 74577842
2-[(2S,3R,4S,5R)-5-[[(3-fluorophenyl)carbamoylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(2-methoxyethyl)acetamide
CID 40781592
3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 78836869
3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005334
methyl 3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]butanoate
CID 78825239
3-[(3-fluorobenzoyl)amino]butanoic acid
CID 43240622
3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031989

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide (CID 162875462) is N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide is CC(C)NC(=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,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide?
The InChIKey is GCSIXLIQYXQUJE-LUYZLQTOSA-N. The full InChI is InChI=1S/C17H23FN2O5/c1-9(2)20-14(21)7-12-15(22)16(23)13(25-12)8-19-17(24)10-4-3-5-11(18)6-10/h3-6,9,12-13,15-16,22-23H,7-8H2,1-2H3,(H,19,24)(H,20,21)/t12-,13-,15+,16-/m1/s1.
What are the key properties of N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide?
N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide has a molecular weight of 354.38 g/mol, XLogP of -0.04, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 162875462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).