cis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one

C27H25FO3 — CID 134962297

IUPACcis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one
SMILESCc1ccc(C(=O)c2ccccc2)c(C[C@]2(O)CCC(=O)[C@@]2(F)Cc2ccccc2)c1
InChIInChI=1S/C27H25FO3/c1-19-12-13-23(25(30)21-10-6-3-7-11-21)22(16-19)18-26(31)15-14-24(29)27(26,28)17-20-8-4-2-5-9-20/h2-13,16,31H,14-15,17-18H2,1H3/t26-,27+/m1/s1
InChIKeyQNPLOACMNHWBGW-SXOMAYOGSA-N
MW416.49 g/mol
LogP4.81
Rot. Bonds6

About cis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one

cis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one (PubChem CID 134962297) has the molecular formula C27H25FO3 and a molecular weight of 416.49 g/mol. Its IUPAC name is cis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one.

Molecular Properties

Compound Namecis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one
PubChem CID134962297
Molecular FormulaC27H25FO3
Molecular Weight416.49 g/mol
Exact Mass416.18
IUPAC Namecis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one
SMILESCc1ccc(C(=O)c2ccccc2)c(C[C@]2(O)CCC(=O)[C@@]2(F)Cc2ccccc2)c1
InChIInChI=1S/C27H25FO3/c1-19-12-13-23(25(30)21-10-6-3-7-11-21)22(16-19)18-26(31)15-14-24(29)27(26,28)17-20-8-4-2-5-9-20/h2-13,16,31H,14-15,17-18H2,1H3/t26-,27+/m1/s1
InChIKeyQNPLOACMNHWBGW-SXOMAYOGSA-N
XLogP4.81
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one 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

[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone
CID 59492749
(1R)-1-hydroxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione
CID 38361941
(2R)-2-hydroxy-2-methyl-3,4-dihydro-1H-benzo[a]anthracene-7,12-dione
CID 132987765
3-hydroxy-2',3,6-trimethyl-5'-(trifluoromethyl)spiro[4H-naphthalene-2,1'-indene]-1-one
CID 134940106
trans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one
CID 134961564
cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-[(4-bromophenyl)methyl]-2-fluoro-3-hydroxycyclopentan-1-one
CID 134961565
cis-(2R,3R)-2-benzyl-3-[[2-(4-bromobenzoyl)phenyl]methyl]-2-fluoro-3-hydroxycyclopentan-1-one
CID 134961566
cis-(2R,3R)-3-[[2-benzoyl-5-(trifluoromethyl)phenyl]methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one
CID 134961567
cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one
CID 134962595
2-hydroxy-2-methyl-3,4-dihydro-1H-benzo[a]anthracene-7,12-dione
CID 16741799
1-(4-Acetylphenyl)-2-[4-[[4-ethyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]ethanone
CID 58543749
1-[9-Hydroxy-1,3,4-trimethyl-9-(trifluoromethyl)fluoren-2-yl]ethanone
CID 71164727

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one?
The IUPAC name of cis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one (CID 134962297) is cis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one.
What is the SMILES notation for cis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one?
The canonical SMILES for cis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one is Cc1ccc(C(=O)c2ccccc2)c(C[C@]2(O)CCC(=O)[C@@]2(F)Cc2ccccc2)c1.
What is the InChIKey of cis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one?
The InChIKey is QNPLOACMNHWBGW-SXOMAYOGSA-N. The full InChI is InChI=1S/C27H25FO3/c1-19-12-13-23(25(30)21-10-6-3-7-11-21)22(16-19)18-26(31)15-14-24(29)27(26,28)17-20-8-4-2-5-9-20/h2-13,16,31H,14-15,17-18H2,1H3/t26-,27+/m1/s1.
What are the key properties of cis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one?
cis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one has a molecular weight of 416.49 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one is sourced from PubChem (CID 134962297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).