[(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]-phenylmethanone

C26H22F3NO2 — CID 138978544

IUPAC[(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]-phenylmethanone
SMILESC[C@]1(C(F)(F)F)C(C(=O)c2ccccc2)=CN[C@@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22F3NO2/c1-24(26(27,28)29)21(22(31)18-11-5-2-6-12-18)17-30-23(24)25(32,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,23,30,32H,1H3/t23-,24-/m0/s1
InChIKeyPJWFNBOXPQGBRW-ZEQRLZLVSA-N
MW437.46 g/mol
LogP5.23
Rot. Bonds5

About [(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]-phenylmethanone

[(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]-phenylmethanone (PubChem CID 138978544) has the molecular formula C26H22F3NO2 and a molecular weight of 437.46 g/mol. Its IUPAC name is [(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]-phenylmethanone
PubChem CID138978544
Molecular FormulaC26H22F3NO2
Molecular Weight437.46 g/mol
Exact Mass437.16
IUPAC Name[(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]-phenylmethanone
SMILESC[C@]1(C(F)(F)F)C(C(=O)c2ccccc2)=CN[C@@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22F3NO2/c1-24(26(27,28)29)21(22(31)18-11-5-2-6-12-18)17-30-23(24)25(32,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,23,30,32H,1H3/t23-,24-/m0/s1
InChIKeyPJWFNBOXPQGBRW-ZEQRLZLVSA-N
XLogP5.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.46
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]-phenylmethanone 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

(4-chlorophenyl)-[(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]methanone
CID 138978543
(1-Hydroxy-1-phenyl-isopropyl-amino)-propiophenone
CID 129718693
5-Benzoyl-2-diphenylhydroxymethyl-1,2-dihydropyridine
CID 129790555
3-[3,5-bis(trifluoromethyl)phenyl]-4-[[(2R)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione
CID 132559763
3-(Cyclohexylamino)-2-hydroxy-1,2-diphenylpropan-1-one
CID 12787133
(6Z)-2-tert-butyl-6-[[[(1R)-2-hydroxy-1,2,2-triphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;difluorotitanium
CID 10530321
3-[(2-Hydroxy-1,2-diphenylpropyl)amino]-1-phenylpropan-1-one
CID 110176581

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]-phenylmethanone?
The IUPAC name of [(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]-phenylmethanone (CID 138978544) is [(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]-phenylmethanone.
What is the SMILES notation for [(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]-phenylmethanone?
The canonical SMILES for [(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]-phenylmethanone is C[C@]1(C(F)(F)F)C(C(=O)c2ccccc2)=CN[C@@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]-phenylmethanone?
The InChIKey is PJWFNBOXPQGBRW-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H22F3NO2/c1-24(26(27,28)29)21(22(31)18-11-5-2-6-12-18)17-30-23(24)25(32,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,23,30,32H,1H3/t23-,24-/m0/s1.
What are the key properties of [(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]-phenylmethanone?
[(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]-phenylmethanone has a molecular weight of 437.46 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methyl-3-(trifluoromethyl)-1,2-dihydropyrrol-4-yl]-phenylmethanone is sourced from PubChem (CID 138978544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).