N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2,5-difluoro-N-methylbenzamide

C13H15F2NO3 — CID 110125144

IUPACN-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2,5-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(F)ccc1F)[C@@H]1CC[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H15F2NO3/c1-16(10-4-5-11(17)12(10)18)13(19)8-6-7(14)2-3-9(8)15/h2-3,6,10-12,17-18H,4-5H2,1H3/t10-,11-,12-/m1/s1
InChIKeyZDHAAIDEOWRFKU-IJLUTSLNSA-N
MW271.26 g/mol
LogP0.92
Rot. Bonds2

About N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2,5-difluoro-N-methylbenzamide

N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2,5-difluoro-N-methylbenzamide (PubChem CID 110125144) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2,5-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2,5-difluoro-N-methylbenzamide
PubChem CID110125144
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2,5-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(F)ccc1F)[C@@H]1CC[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H15F2NO3/c1-16(10-4-5-11(17)12(10)18)13(19)8-6-7(14)2-3-9(8)15/h2-3,6,10-12,17-18H,4-5H2,1H3/t10-,11-,12-/m1/s1
InChIKeyZDHAAIDEOWRFKU-IJLUTSLNSA-N
XLogP0.92
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2,5-difluoro-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2,5-difluoro-N-methylbenzamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2,5-difluoro-N-methylbenzamide (CID 110125144) is N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2,5-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2,5-difluoro-N-methylbenzamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2,5-difluoro-N-methylbenzamide is CN(C(=O)c1cc(F)ccc1F)[C@@H]1CC[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2,5-difluoro-N-methylbenzamide?
The InChIKey is ZDHAAIDEOWRFKU-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-16(10-4-5-11(17)12(10)18)13(19)8-6-7(14)2-3-9(8)15/h2-3,6,10-12,17-18H,4-5H2,1H3/t10-,11-,12-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2,5-difluoro-N-methylbenzamide?
N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2,5-difluoro-N-methylbenzamide has a molecular weight of 271.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2,5-difluoro-N-methylbenzamide is sourced from PubChem (CID 110125144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).