2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide

C22H19F5N2O4 — CID 69485358

IUPAC2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide
SMILESCc1c(CC(=O)NC(C)C)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H19F5N2O4/c1-10(2)28-17(30)8-14-11(3)29(16-9-15(23)20(31)19(24)18(14)16)21(32)12-4-6-13(7-5-12)33-22(25,26)27/h4-7,9-10,31H,8H2,1-3H3,(H,28,30)
InChIKeyIQDCHTCQKUFXJZ-UHFFFAOYSA-N
MW470.39 g/mol
LogP4.59
Rot. Bonds5

About 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide

2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide (PubChem CID 69485358) has the molecular formula C22H19F5N2O4 and a molecular weight of 470.39 g/mol. Its IUPAC name is 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide
PubChem CID69485358
Molecular FormulaC22H19F5N2O4
Molecular Weight470.39 g/mol
Exact Mass470.13
IUPAC Name2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide
SMILESCc1c(CC(=O)NC(C)C)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H19F5N2O4/c1-10(2)28-17(30)8-14-11(3)29(16-9-15(23)20(31)19(24)18(14)16)21(32)12-4-6-13(7-5-12)33-22(25,26)27/h4-7,9-10,31H,8H2,1-3H3,(H,28,30)
InChIKeyIQDCHTCQKUFXJZ-UHFFFAOYSA-N
XLogP4.59
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.39
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-chloro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide
CID 69485753
(2R)-2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylpropanamide
CID 69485491
2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]butanamide
CID 91032682
3-[[2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetyl]amino]-2-methylpropanoic acid
CID 69487316
3-[[2-[1-(4-chlorobenzoyl)-4,6-difluoro-5-hydroxy-2-methylindol-3-yl]acetyl]amino]butanoic acid;2-[[2-[1-(4-chlorobenzoyl)-4,6-difluoro-5-hydroxy-2-methylindol-3-yl]acetyl]amino]propanoic acid
CID 87895671
2-[[2-[1-(4-chlorobenzoyl)-4,6-difluoro-5-hydroxy-2-methylindol-3-yl]acetyl]amino]propanoyl 3-[[2-[1-(4-chlorobenzoyl)-4,6-difluoro-5-hydroxy-2-methylindol-3-yl]acetyl]amino]butanoate
CID 87895669
2-[1-[4-(difluoromethoxy)benzoyl]-6-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69488461
propan-2-yl 2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate
CID 90945417
2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-(2-hydroxyethyl)acetamide
CID 69488642
N-butan-2-yl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide
CID 69487707
tert-butyl 2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate
CID 91501750
2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69487790

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide (CID 69485358) is 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide is Cc1c(CC(=O)NC(C)C)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide?
The InChIKey is IQDCHTCQKUFXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F5N2O4/c1-10(2)28-17(30)8-14-11(3)29(16-9-15(23)20(31)19(24)18(14)16)21(32)12-4-6-13(7-5-12)33-22(25,26)27/h4-7,9-10,31H,8H2,1-3H3,(H,28,30).
What are the key properties of 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide?
2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide has a molecular weight of 470.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 69485358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).