4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene

C28H27FN2O2 — CID 143475597

IUPAC4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene
SMILESCc1c(C(C2=C(O)C(C)NC2=O)c2ccccc2)[nH]c2ccc(F)cc12.Cc1ccccc1
InChIInChI=1S/C21H19FN2O2.C7H8/c1-11-15-10-14(22)8-9-16(15)24-19(11)17(13-6-4-3-5-7-13)18-20(25)12(2)23-21(18)26;1-7-5-3-2-4-6-7/h3-10,12,17,24-25H,1-2H3,(H,23,26);2-6H,1H3
InChIKeySUEPLFDIVKPWNV-UHFFFAOYSA-N
MW442.53 g/mol
LogP6.07
Rot. Bonds3

About 4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene

4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene (PubChem CID 143475597) has the molecular formula C28H27FN2O2 and a molecular weight of 442.53 g/mol. Its IUPAC name is 4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene.

Molecular Properties

Compound Name4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene
PubChem CID143475597
Molecular FormulaC28H27FN2O2
Molecular Weight442.53 g/mol
Exact Mass442.21
IUPAC Name4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene
SMILESCc1c(C(C2=C(O)C(C)NC2=O)c2ccccc2)[nH]c2ccc(F)cc12.Cc1ccccc1
InChIInChI=1S/C21H19FN2O2.C7H8/c1-11-15-10-14(22)8-9-16(15)24-19(11)17(13-6-4-3-5-7-13)18-20(25)12(2)23-21(18)26;1-7-5-3-2-4-6-7/h3-10,12,17,24-25H,1-2H3,(H,23,26);2-6H,1H3
InChIKeySUEPLFDIVKPWNV-UHFFFAOYSA-N
XLogP6.07
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.53
LogP ≤ 56.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene 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

2-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-4-methyl-4-(4-methylphenyl)cyclobut-2-en-1-one
CID 25050707
2-[(3,5-dimethyl-1H-indol-2-yl)-phenylmethyl]-4-methyl-4-phenylcyclobuten-1-ol
CID 141200867
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropanoic acid
CID 83859681
6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
CID 54678717
4-[6-fluoro-2-[(4-hydroxy-5-methyl-2-oxo-5-phenylfuran-3-yl)-phenylmethyl]-1H-indol-3-yl]butanamide
CID 69064739
5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide
CID 13490832
6-fluoro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one
CID 131850823
2-fluoro-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 58939138
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82079500
4-tert-butyl-2-[(3,6-dimethyl-1H-indol-2-yl)-phenylmethyl]phenol
CID 132583299
8-fluoro-3-[(1S)-1-phenylethyl]-5H-pyrimido[5,4-b]indol-4-one
CID 92734033

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene?
The IUPAC name of 4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene (CID 143475597) is 4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene.
What is the SMILES notation for 4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene?
The canonical SMILES for 4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene is Cc1c(C(C2=C(O)C(C)NC2=O)c2ccccc2)[nH]c2ccc(F)cc12.Cc1ccccc1.
What is the InChIKey of 4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene?
The InChIKey is SUEPLFDIVKPWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2.C7H8/c1-11-15-10-14(22)8-9-16(15)24-19(11)17(13-6-4-3-5-7-13)18-20(25)12(2)23-21(18)26;1-7-5-3-2-4-6-7/h3-10,12,17,24-25H,1-2H3,(H,23,26);2-6H,1H3.
What are the key properties of 4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene?
4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene has a molecular weight of 442.53 g/mol, XLogP of 6.07, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one;toluene is sourced from PubChem (CID 143475597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).