N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide

C24H24F4N2O3 — CID 69487191

IUPACN-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide
SMILESCCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(C(F)(F)F)cc2)c2cc(F)c(OC)cc12
InChIInChI=1S/C24H24F4N2O3/c1-4-5-10-29-22(31)12-17-14(2)30(20-13-19(25)21(33-3)11-18(17)20)23(32)15-6-8-16(9-7-15)24(26,27)28/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,29,31)
InChIKeyORVAAZTWIPZROL-UHFFFAOYSA-N
MW464.46 g/mol
LogP5.26
Rot. Bonds7

About N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide

N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide (PubChem CID 69487191) has the molecular formula C24H24F4N2O3 and a molecular weight of 464.46 g/mol. Its IUPAC name is N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide
PubChem CID69487191
Molecular FormulaC24H24F4N2O3
Molecular Weight464.46 g/mol
Exact Mass464.17
IUPAC NameN-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide
SMILESCCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(C(F)(F)F)cc2)c2cc(F)c(OC)cc12
InChIInChI=1S/C24H24F4N2O3/c1-4-5-10-29-22(31)12-17-14(2)30(20-13-19(25)21(33-3)11-18(17)20)23(32)15-6-8-16(9-7-15)24(26,27)28/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,29,31)
InChIKeyORVAAZTWIPZROL-UHFFFAOYSA-N
XLogP5.26
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide?
The IUPAC name of N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide (CID 69487191) is N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide.
What is the SMILES notation for N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide?
The canonical SMILES for N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide is CCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(C(F)(F)F)cc2)c2cc(F)c(OC)cc12.
What is the InChIKey of N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide?
The InChIKey is ORVAAZTWIPZROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N2O3/c1-4-5-10-29-22(31)12-17-14(2)30(20-13-19(25)21(33-3)11-18(17)20)23(32)15-6-8-16(9-7-15)24(26,27)28/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,29,31).
What are the key properties of N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide?
N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide has a molecular weight of 464.46 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide is sourced from PubChem (CID 69487191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).