N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide

C13H16FNO5 — CID 58343292

IUPACN-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)CO)[C@@H](C)O)cc1F
InChIInChI=1S/C13H16FNO5/c1-7(17)12(10(18)6-16)15-13(19)8-3-4-11(20-2)9(14)5-8/h3-5,7,12,16-17H,6H2,1-2H3,(H,15,19)/t7-,12+/m1/s1
InChIKeySBWPMHCUTULFEI-KRTXAFLBSA-N
MW285.27 g/mol
LogP-0.13
Rot. Bonds6

About N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide

N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide (PubChem CID 58343292) has the molecular formula C13H16FNO5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide
PubChem CID58343292
Molecular FormulaC13H16FNO5
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC NameN-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)CO)[C@@H](C)O)cc1F
InChIInChI=1S/C13H16FNO5/c1-7(17)12(10(18)6-16)15-13(19)8-3-4-11(20-2)9(14)5-8/h3-5,7,12,16-17H,6H2,1-2H3,(H,15,19)/t7-,12+/m1/s1
InChIKeySBWPMHCUTULFEI-KRTXAFLBSA-N
XLogP-0.13
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-methoxybenzamide
CID 58343536
N-(4-bromobutan-2-yl)-3-fluoro-4-methoxybenzamide
CID 83179034
3-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methoxybenzamide
CID 103801471
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
CID 109478916
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100611701
N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 114300958
N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
CID 114296589
4,4-difluoro-1-(3-fluoro-4-methoxyphenyl)butane-1,3-dione
CID 15484969
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
3-fluoro-4-methoxy-N-pent-1-yn-3-ylbenzamide
CID 103579091

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide (CID 58343292) is N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)N[C@H](C(=O)CO)[C@@H](C)O)cc1F.
What is the InChIKey of N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide?
The InChIKey is SBWPMHCUTULFEI-KRTXAFLBSA-N. The full InChI is InChI=1S/C13H16FNO5/c1-7(17)12(10(18)6-16)15-13(19)8-3-4-11(20-2)9(14)5-8/h3-5,7,12,16-17H,6H2,1-2H3,(H,15,19)/t7-,12+/m1/s1.
What are the key properties of N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide?
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide has a molecular weight of 285.27 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 58343292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).