N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide

C14H16F3NO3 — CID 71693936

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO3/c1-7(19)18-12-10(6-11(20)13(12)21)8-2-4-9(5-3-8)14(15,16)17/h2-5,10-13,20-21H,6H2,1H3,(H,18,19)/t10-,11-,12-,13-/m1/s1
InChIKeyQZIUJOLPWCVSRQ-FDYHWXHSSA-N
MW303.28 g/mol
LogP1.42
Rot. Bonds2

About N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide (PubChem CID 71693936) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide
PubChem CID71693936
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO3/c1-7(19)18-12-10(6-11(20)13(12)21)8-2-4-9(5-3-8)14(15,16)17/h2-5,10-13,20-21H,6H2,1H3,(H,18,19)/t10-,11-,12-,13-/m1/s1
InChIKeyQZIUJOLPWCVSRQ-FDYHWXHSSA-N
XLogP1.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide 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,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide (CID 71693936) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide is CC(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide?
The InChIKey is QZIUJOLPWCVSRQ-FDYHWXHSSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-7(19)18-12-10(6-11(20)13(12)21)8-2-4-9(5-3-8)14(15,16)17/h2-5,10-13,20-21H,6H2,1H3,(H,18,19)/t10-,11-,12-,13-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide has a molecular weight of 303.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide is sourced from PubChem (CID 71693936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).