N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide

C13H16FNO4 — CID 155996080

IUPACN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H]1COC[C@@H](O)[C@H]1O
InChIInChI=1S/C13H16FNO4/c14-9-3-1-8(2-4-9)5-12(17)15-10-6-19-7-11(16)13(10)18/h1-4,10-11,13,16,18H,5-7H2,(H,15,17)/t10-,11-,13+/m1/s1
InChIKeyUSIBXFDEDQWCOO-WZRBSPASSA-N
MW269.27 g/mol
LogP-0.40
Rot. Bonds3

About N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide

N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 155996080) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide
PubChem CID155996080
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H]1COC[C@@H](O)[C@H]1O
InChIInChI=1S/C13H16FNO4/c14-9-3-1-8(2-4-9)5-12(17)15-10-6-19-7-11(16)13(10)18/h1-4,10-11,13,16,18H,5-7H2,(H,15,17)/t10-,11-,13+/m1/s1
InChIKeyUSIBXFDEDQWCOO-WZRBSPASSA-N
XLogP-0.40
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol
CID 93384215
4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide
CID 91763561
2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide
CID 134536580
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide
CID 110125855
trans-(1R,2R)-2-[[2-(4-fluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 97161392
4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712334
2-(4-fluorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)acetamide
CID 122276140
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736373
2-(5-fluoro-2-methylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134707664
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(4-fluorophenyl)acetamide
CID 166359293
2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide
CID 110127757
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-fluorophenyl)acetamide
CID 21132354

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide (CID 155996080) is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)N[C@@H]1COC[C@@H](O)[C@H]1O.
What is the InChIKey of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is USIBXFDEDQWCOO-WZRBSPASSA-N. The full InChI is InChI=1S/C13H16FNO4/c14-9-3-1-8(2-4-9)5-12(17)15-10-6-19-7-11(16)13(10)18/h1-4,10-11,13,16,18H,5-7H2,(H,15,17)/t10-,11-,13+/m1/s1.
What are the key properties of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide?
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 269.27 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 155996080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).