2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

C26H21ClF3N3O3 — CID 42618095

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCc1ccc(C(F)(F)F)nc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H21ClF3N3O3/c1-15-20(12-24(34)32-14-16-3-10-23(31-13-16)26(28,29)30)21-11-19(36-2)8-9-22(21)33(15)25(35)17-4-6-18(27)7-5-17/h3-11,13H,12,14H2,1-2H3,(H,32,34)
InChIKeyMIKBWRHASMUGBI-UHFFFAOYSA-N
MW515.92 g/mol
LogP5.57
Rot. Bonds6

About 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (PubChem CID 42618095) has the molecular formula C26H21ClF3N3O3 and a molecular weight of 515.92 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
PubChem CID42618095
Molecular FormulaC26H21ClF3N3O3
Molecular Weight515.92 g/mol
Exact Mass515.12
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCc1ccc(C(F)(F)F)nc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H21ClF3N3O3/c1-15-20(12-24(34)32-14-16-3-10-23(31-13-16)26(28,29)30)21-11-19(36-2)8-9-22(21)33(15)25(35)17-4-6-18(27)7-5-17/h3-11,13H,12,14H2,1-2H3,(H,32,34)
InChIKeyMIKBWRHASMUGBI-UHFFFAOYSA-N
XLogP5.57
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.92
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (CID 42618095) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is COc1ccc2c(c1)c(CC(=O)NCc1ccc(C(F)(F)F)nc1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The InChIKey is MIKBWRHASMUGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3N3O3/c1-15-20(12-24(34)32-14-16-3-10-23(31-13-16)26(28,29)30)21-11-19(36-2)8-9-22(21)33(15)25(35)17-4-6-18(27)7-5-17/h3-11,13H,12,14H2,1-2H3,(H,32,34).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide has a molecular weight of 515.92 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 42618095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).