(5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide

C12H16FNO3 — CID 176680522

IUPAC(5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide
SMILESO=C(CCC[C@@H](O)CO)Nc1ccccc1F
InChIInChI=1S/C12H16FNO3/c13-10-5-1-2-6-11(10)14-12(17)7-3-4-9(16)8-15/h1-2,5-6,9,15-16H,3-4,7-8H2,(H,14,17)/t9-/m1/s1
InChIKeyNVWKHNRLPGDOIY-SECBINFHSA-N
MW241.26 g/mol
LogP1.29
Rot. Bonds6

About (5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide

(5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide (PubChem CID 176680522) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is (5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide.

Molecular Properties

Compound Name(5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide
PubChem CID176680522
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name(5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide
SMILESO=C(CCC[C@@H](O)CO)Nc1ccccc1F
InChIInChI=1S/C12H16FNO3/c13-10-5-1-2-6-11(10)14-12(17)7-3-4-9(16)8-15/h1-2,5-6,9,15-16H,3-4,7-8H2,(H,14,17)/t9-/m1/s1
InChIKeyNVWKHNRLPGDOIY-SECBINFHSA-N
XLogP1.29
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-fluorophenyl)butanamide
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N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide
CID 91820804
N-(2-fluorophenyl)-2-iodoacetamide
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3-(3-aminobutylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 66234179
N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 60623801
12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)phenyl]octadecanamide
CID 70182552
N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide
CID 42765949
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CID 17035126

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide?
The IUPAC name of (5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide (CID 176680522) is (5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide.
What is the SMILES notation for (5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide?
The canonical SMILES for (5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide is O=C(CCC[C@@H](O)CO)Nc1ccccc1F.
What is the InChIKey of (5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide?
The InChIKey is NVWKHNRLPGDOIY-SECBINFHSA-N. The full InChI is InChI=1S/C12H16FNO3/c13-10-5-1-2-6-11(10)14-12(17)7-3-4-9(16)8-15/h1-2,5-6,9,15-16H,3-4,7-8H2,(H,14,17)/t9-/m1/s1.
What are the key properties of (5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide?
(5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide has a molecular weight of 241.26 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide is sourced from PubChem (CID 176680522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).