4,4,4-trifluoro-N-(5-methoxy-2,3-dimethyl-1H-indol-6-yl)-3-oxobutanamide

C15H15F3N2O3 — CID 6425059

IUPAC4,4,4-trifluoro-N-(5-methoxy-2,3-dimethyl-1H-indol-6-yl)-3-oxobutanamide
SMILESCOc1cc2c(C)c(C)[nH]c2cc1NC(=O)CC(=O)C(F)(F)F
InChIInChI=1S/C15H15F3N2O3/c1-7-8(2)19-10-5-11(12(23-3)4-9(7)10)20-14(22)6-13(21)15(16,17)18/h4-5,19H,6H2,1-3H3,(H,20,22)
InChIKeyJIDCYPHIMOMDOD-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.25
Rot. Bonds4

About 4,4,4-trifluoro-N-(5-methoxy-2,3-dimethyl-1H-indol-6-yl)-3-oxobutanamide

4,4,4-trifluoro-N-(5-methoxy-2,3-dimethyl-1H-indol-6-yl)-3-oxobutanamide (PubChem CID 6425059) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(5-methoxy-2,3-dimethyl-1H-indol-6-yl)-3-oxobutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(5-methoxy-2,3-dimethyl-1H-indol-6-yl)-3-oxobutanamide
PubChem CID6425059
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Name4,4,4-trifluoro-N-(5-methoxy-2,3-dimethyl-1H-indol-6-yl)-3-oxobutanamide
SMILESCOc1cc2c(C)c(C)[nH]c2cc1NC(=O)CC(=O)C(F)(F)F
InChIInChI=1S/C15H15F3N2O3/c1-7-8(2)19-10-5-11(12(23-3)4-9(7)10)20-14(22)6-13(21)15(16,17)18/h4-5,19H,6H2,1-3H3,(H,20,22)
InChIKeyJIDCYPHIMOMDOD-UHFFFAOYSA-N
XLogP3.25
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2,3,6-trimethyl-1H-indole
CID 70181288
4,4,4-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)butane-1,3-dione
CID 98579550
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
N-(2-methoxy-4,5-dimethylphenyl)propanamide
CID 110776816
2-[[2-(5,6-dimethoxy-2-methyl-1H-indol-3-yl)acetyl]amino]benzoic acid
CID 10133618
2-[[2-(5,6-dimethoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylbenzoic acid
CID 10271239
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 134027334
N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212208
N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide
CID 15475907
methyl 3-(2,3-dimethyl-1H-indol-5-yl)propanoate
CID 116996350
N-(2,5-dimethoxy-4-methylphenyl)-3-sulfanylpropanamide
CID 115167651
4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride
CID 119808116

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(5-methoxy-2,3-dimethyl-1H-indol-6-yl)-3-oxobutanamide?
The IUPAC name of 4,4,4-trifluoro-N-(5-methoxy-2,3-dimethyl-1H-indol-6-yl)-3-oxobutanamide (CID 6425059) is 4,4,4-trifluoro-N-(5-methoxy-2,3-dimethyl-1H-indol-6-yl)-3-oxobutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(5-methoxy-2,3-dimethyl-1H-indol-6-yl)-3-oxobutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(5-methoxy-2,3-dimethyl-1H-indol-6-yl)-3-oxobutanamide is COc1cc2c(C)c(C)[nH]c2cc1NC(=O)CC(=O)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(5-methoxy-2,3-dimethyl-1H-indol-6-yl)-3-oxobutanamide?
The InChIKey is JIDCYPHIMOMDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c1-7-8(2)19-10-5-11(12(23-3)4-9(7)10)20-14(22)6-13(21)15(16,17)18/h4-5,19H,6H2,1-3H3,(H,20,22).
What are the key properties of 4,4,4-trifluoro-N-(5-methoxy-2,3-dimethyl-1H-indol-6-yl)-3-oxobutanamide?
4,4,4-trifluoro-N-(5-methoxy-2,3-dimethyl-1H-indol-6-yl)-3-oxobutanamide has a molecular weight of 328.29 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(5-methoxy-2,3-dimethyl-1H-indol-6-yl)-3-oxobutanamide is sourced from PubChem (CID 6425059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).