N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide

C15H18F3NO4 — CID 75529547

IUPACN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide
SMILESCOC[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H18F3NO4/c1-23-7-9-6-11(13(21)12(9)20)19-14(22)8-2-4-10(5-3-8)15(16,17)18/h2-5,9,11-13,20-21H,6-7H2,1H3,(H,19,22)/t9-,11-,12-,13+/m1/s1
InChIKeyLFKJAABWAFRRTG-JHEVNIALSA-N
MW333.31 g/mol
LogP1.19
Rot. Bonds4

About N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide (PubChem CID 75529547) has the molecular formula C15H18F3NO4 and a molecular weight of 333.31 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide
PubChem CID75529547
Molecular FormulaC15H18F3NO4
Molecular Weight333.31 g/mol
Exact Mass333.12
IUPAC NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide
SMILESCOC[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H18F3NO4/c1-23-7-9-6-11(13(21)12(9)20)19-14(22)8-2-4-10(5-3-8)15(16,17)18/h2-5,9,11-13,20-21H,6-7H2,1H3,(H,19,22)/t9-,11-,12-,13+/m1/s1
InChIKeyLFKJAABWAFRRTG-JHEVNIALSA-N
XLogP1.19
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide (CID 75529547) is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide is COC[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide?
The InChIKey is LFKJAABWAFRRTG-JHEVNIALSA-N. The full InChI is InChI=1S/C15H18F3NO4/c1-23-7-9-6-11(13(21)12(9)20)19-14(22)8-2-4-10(5-3-8)15(16,17)18/h2-5,9,11-13,20-21H,6-7H2,1H3,(H,19,22)/t9-,11-,12-,13+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide?
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide has a molecular weight of 333.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 75529547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).