4-(2,4-dimethyl-1H-indol-3-yl)-3-ethyl-5-fluoro-2-methylbenzamide

C20H21FN2O — CID 87577227

IUPAC4-(2,4-dimethyl-1H-indol-3-yl)-3-ethyl-5-fluoro-2-methylbenzamide
SMILESCCc1c(C)c(C(N)=O)cc(F)c1-c1c(C)[nH]c2cccc(C)c12
InChIInChI=1S/C20H21FN2O/c1-5-13-11(3)14(20(22)24)9-15(21)19(13)18-12(4)23-16-8-6-7-10(2)17(16)18/h6-9,23H,5H2,1-4H3,(H2,22,24)
InChIKeyGQGUQMLPEFBXQR-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.56
Rot. Bonds3

About 4-(2,4-dimethyl-1H-indol-3-yl)-3-ethyl-5-fluoro-2-methylbenzamide

4-(2,4-dimethyl-1H-indol-3-yl)-3-ethyl-5-fluoro-2-methylbenzamide (PubChem CID 87577227) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1H-indol-3-yl)-3-ethyl-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound Name4-(2,4-dimethyl-1H-indol-3-yl)-3-ethyl-5-fluoro-2-methylbenzamide
PubChem CID87577227
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name4-(2,4-dimethyl-1H-indol-3-yl)-3-ethyl-5-fluoro-2-methylbenzamide
SMILESCCc1c(C)c(C(N)=O)cc(F)c1-c1c(C)[nH]c2cccc(C)c12
InChIInChI=1S/C20H21FN2O/c1-5-13-11(3)14(20(22)24)9-15(21)19(13)18-12(4)23-16-8-6-7-10(2)17(16)18/h6-9,23H,5H2,1-4H3,(H2,22,24)
InChIKeyGQGUQMLPEFBXQR-UHFFFAOYSA-N
XLogP4.56
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid
CID 82381368
3,4,5-trifluoro-2-methylbenzamide
CID 87559978
3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 136986099
2,3-diethylbenzamide;hydrofluoride
CID 175203586
ethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate
CID 59626434
2,3-dimethyl-1H-indole-4-carbohydrazide
CID 138755314
ethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate
CID 54706936
3-[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
CID 118141379
[6-(2,4-dimethyl-1H-indol-3-yl)-1,2,4-triazin-3-yl]methanamine
CID 82381880
5-fluoro-2,3-dimethyl-4-(2,3,4,5-tetrahydro-1,5-benzoxazepin-9-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 175880830
3-amino-2-ethylbenzamide;fluorobenzene
CID 174889008
ethyl 2-[3-methyl-4-(trifluoromethyl)-1H-indol-2-yl]-2-oxoacetate
CID 115072663

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1H-indol-3-yl)-3-ethyl-5-fluoro-2-methylbenzamide?
The IUPAC name of 4-(2,4-dimethyl-1H-indol-3-yl)-3-ethyl-5-fluoro-2-methylbenzamide (CID 87577227) is 4-(2,4-dimethyl-1H-indol-3-yl)-3-ethyl-5-fluoro-2-methylbenzamide.
What is the SMILES notation for 4-(2,4-dimethyl-1H-indol-3-yl)-3-ethyl-5-fluoro-2-methylbenzamide?
The canonical SMILES for 4-(2,4-dimethyl-1H-indol-3-yl)-3-ethyl-5-fluoro-2-methylbenzamide is CCc1c(C)c(C(N)=O)cc(F)c1-c1c(C)[nH]c2cccc(C)c12.
What is the InChIKey of 4-(2,4-dimethyl-1H-indol-3-yl)-3-ethyl-5-fluoro-2-methylbenzamide?
The InChIKey is GQGUQMLPEFBXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-5-13-11(3)14(20(22)24)9-15(21)19(13)18-12(4)23-16-8-6-7-10(2)17(16)18/h6-9,23H,5H2,1-4H3,(H2,22,24).
What are the key properties of 4-(2,4-dimethyl-1H-indol-3-yl)-3-ethyl-5-fluoro-2-methylbenzamide?
4-(2,4-dimethyl-1H-indol-3-yl)-3-ethyl-5-fluoro-2-methylbenzamide has a molecular weight of 324.40 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1H-indol-3-yl)-3-ethyl-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 87577227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).