N-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide

C13H15F2NO2 — CID 166284406

IUPACN-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2CCC(F)(F)[C@H]2O)cc1
InChIInChI=1S/C13H15F2NO2/c1-8-2-4-9(5-3-8)12(18)16-10-6-7-13(14,15)11(10)17/h2-5,10-11,17H,6-7H2,1H3,(H,16,18)/t10-,11+/m1/s1
InChIKeyYESLDCCXDSICSU-MNOVXSKESA-N
MW255.26 g/mol
LogP1.88
Rot. Bonds2

About N-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide

N-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide (PubChem CID 166284406) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is N-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide
PubChem CID166284406
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC NameN-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2CCC(F)(F)[C@H]2O)cc1
InChIInChI=1S/C13H15F2NO2/c1-8-2-4-9(5-3-8)12(18)16-10-6-7-13(14,15)11(10)17/h2-5,10-11,17H,6-7H2,1H3,(H,16,18)/t10-,11+/m1/s1
InChIKeyYESLDCCXDSICSU-MNOVXSKESA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclooctyl-4-methylbenzamide
CID 3995245
2,6-dichloro-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-3-methylsulfonylbenzamide
CID 166309791
N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide
CID 59876316
(2,2-difluorocyclopropyl)-(4-methylphenyl)methanone
CID 121222554
N-cyclopropyl-4-methylbenzamide;1-fluoro-2-methylbenzene
CID 145473701
N-(1-iodopiperidin-4-yl)-4-methylbenzamide
CID 148698295
N-(5-azaspiro[3.5]nonan-8-yl)-4-methylbenzamide
CID 43595183
4-methyl-N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide
CID 13282862
4-fluoro-N-[2-[(4-fluorobenzoyl)amino]cyclohexyl]benzamide
CID 2912791

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide?
The IUPAC name of N-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide (CID 166284406) is N-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide?
The canonical SMILES for N-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H]2CCC(F)(F)[C@H]2O)cc1.
What is the InChIKey of N-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide?
The InChIKey is YESLDCCXDSICSU-MNOVXSKESA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-8-2-4-9(5-3-8)12(18)16-10-6-7-13(14,15)11(10)17/h2-5,10-11,17H,6-7H2,1H3,(H,16,18)/t10-,11+/m1/s1.
What are the key properties of N-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide?
N-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide has a molecular weight of 255.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-3,3-difluoro-2-hydroxycyclopentyl]-4-methylbenzamide is sourced from PubChem (CID 166284406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).