N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-4-fluorobenzamide

C15H20FNO4 — CID 75368078

IUPACN-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-4-fluorobenzamide
SMILESCOCC1(CNC(=O)c2ccc(F)cc2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C15H20FNO4/c1-21-9-15(6-12(18)13(19)7-15)8-17-14(20)10-2-4-11(16)5-3-10/h2-5,12-13,18-19H,6-9H2,1H3,(H,17,20)/t12-,13+,15?
InChIKeySIXAAWAKJRROIS-NNQSOWQGSA-N
MW297.33 g/mol
LogP0.70
Rot. Bonds5

About N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-4-fluorobenzamide

N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-4-fluorobenzamide (PubChem CID 75368078) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-4-fluorobenzamide
PubChem CID75368078
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC NameN-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-4-fluorobenzamide
SMILESCOCC1(CNC(=O)c2ccc(F)cc2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C15H20FNO4/c1-21-9-15(6-12(18)13(19)7-15)8-17-14(20)10-2-4-11(16)5-3-10/h2-5,12-13,18-19H,6-9H2,1H3,(H,17,20)/t12-,13+,15?
InChIKeySIXAAWAKJRROIS-NNQSOWQGSA-N
XLogP0.70
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-4-fluorobenzamide (CID 75368078) is N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-4-fluorobenzamide is COCC1(CNC(=O)c2ccc(F)cc2)C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-4-fluorobenzamide?
The InChIKey is SIXAAWAKJRROIS-NNQSOWQGSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-21-9-15(6-12(18)13(19)7-15)8-17-14(20)10-2-4-11(16)5-3-10/h2-5,12-13,18-19H,6-9H2,1H3,(H,17,20)/t12-,13+,15?.
What are the key properties of N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-4-fluorobenzamide?
N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-4-fluorobenzamide has a molecular weight of 297.33 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 75368078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).