(2R,3S,4R,5R)-N-(2-fluorophenyl)-2,3,4,5,6-pentahydroxyhexanamide

C12H16FNO6 — CID 72548624

IUPAC(2R,3S,4R,5R)-N-(2-fluorophenyl)-2,3,4,5,6-pentahydroxyhexanamide
SMILESO=C(Nc1ccccc1F)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C12H16FNO6/c13-6-3-1-2-4-7(6)14-12(20)11(19)10(18)9(17)8(16)5-15/h1-4,8-11,15-19H,5H2,(H,14,20)/t8-,9-,10+,11-/m1/s1
InChIKeyAXQTXPZVJSFTSL-CHWFTXMASA-N
MW289.26 g/mol
LogP-1.80
Rot. Bonds6

About (2R,3S,4R,5R)-N-(2-fluorophenyl)-2,3,4,5,6-pentahydroxyhexanamide

(2R,3S,4R,5R)-N-(2-fluorophenyl)-2,3,4,5,6-pentahydroxyhexanamide (PubChem CID 72548624) has the molecular formula C12H16FNO6 and a molecular weight of 289.26 g/mol. Its IUPAC name is (2R,3S,4R,5R)-N-(2-fluorophenyl)-2,3,4,5,6-pentahydroxyhexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-N-(2-fluorophenyl)-2,3,4,5,6-pentahydroxyhexanamide
PubChem CID72548624
Molecular FormulaC12H16FNO6
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name(2R,3S,4R,5R)-N-(2-fluorophenyl)-2,3,4,5,6-pentahydroxyhexanamide
SMILESO=C(Nc1ccccc1F)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C12H16FNO6/c13-6-3-1-2-4-7(6)14-12(20)11(19)10(18)9(17)8(16)5-15/h1-4,8-11,15-19H,5H2,(H,14,20)/t8-,9-,10+,11-/m1/s1
InChIKeyAXQTXPZVJSFTSL-CHWFTXMASA-N
XLogP-1.80
TPSA130.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.26
LogP ≤ 5-1.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 102513203
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CID 5130491
(2R)-1-aminopropan-2-ol;(2R,3R)-4-(2-fluoroanilino)-2,3-dihydroxy-4-oxobutanoic acid
CID 52911760
N-(2-fluorophenyl)-2-hydroxy-2-phenylacetamide
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2-amino-N-(2-fluorophenyl)propanamide
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1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide
CID 72548867
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 79683205
(5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide
CID 176680522
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-N-(2-fluorophenyl)-2,3,4,5,6-pentahydroxyhexanamide?
The IUPAC name of (2R,3S,4R,5R)-N-(2-fluorophenyl)-2,3,4,5,6-pentahydroxyhexanamide (CID 72548624) is (2R,3S,4R,5R)-N-(2-fluorophenyl)-2,3,4,5,6-pentahydroxyhexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-N-(2-fluorophenyl)-2,3,4,5,6-pentahydroxyhexanamide?
The canonical SMILES for (2R,3S,4R,5R)-N-(2-fluorophenyl)-2,3,4,5,6-pentahydroxyhexanamide is O=C(Nc1ccccc1F)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-N-(2-fluorophenyl)-2,3,4,5,6-pentahydroxyhexanamide?
The InChIKey is AXQTXPZVJSFTSL-CHWFTXMASA-N. The full InChI is InChI=1S/C12H16FNO6/c13-6-3-1-2-4-7(6)14-12(20)11(19)10(18)9(17)8(16)5-15/h1-4,8-11,15-19H,5H2,(H,14,20)/t8-,9-,10+,11-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-N-(2-fluorophenyl)-2,3,4,5,6-pentahydroxyhexanamide?
(2R,3S,4R,5R)-N-(2-fluorophenyl)-2,3,4,5,6-pentahydroxyhexanamide has a molecular weight of 289.26 g/mol, XLogP of -1.80, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-N-(2-fluorophenyl)-2,3,4,5,6-pentahydroxyhexanamide is sourced from PubChem (CID 72548624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).