N-ethyl-2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide

C43H38F8N4O8 — CID 87893298

IUPACN-ethyl-2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(O)c(F)c12.CCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(O)c(F)c12
InChIInChI=1S/C22H20F4N2O4.C21H18F4N2O4/c1-3-10-27-18(30)11-15-12(2)28(16-8-9-17(29)20(23)19(15)16)21(31)13-4-6-14(7-5-13)32-22(24,25)26;1-3-26-17(29)10-14-11(2)27(15-8-9-16(28)19(22)18(14)15)20(30)12-4-6-13(7-5-12)31-21(23,24)25/h4-9,29H,3,10-11H2,1-2H3,(H,27,30);4-9,28H,3,10H2,1-2H3,(H,26,29)
InChIKeyIPVQITDPQVPJHH-UHFFFAOYSA-N
MW890.78 g/mol
LogP8.51
Rot. Bonds11

About N-ethyl-2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide

N-ethyl-2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide (PubChem CID 87893298) has the molecular formula C43H38F8N4O8 and a molecular weight of 890.78 g/mol. Its IUPAC name is N-ethyl-2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide
PubChem CID87893298
Molecular FormulaC43H38F8N4O8
Molecular Weight890.78 g/mol
Exact Mass890.26
IUPAC NameN-ethyl-2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(O)c(F)c12.CCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(O)c(F)c12
InChIInChI=1S/C22H20F4N2O4.C21H18F4N2O4/c1-3-10-27-18(30)11-15-12(2)28(16-8-9-17(29)20(23)19(15)16)21(31)13-4-6-14(7-5-13)32-22(24,25)26;1-3-26-17(29)10-14-11(2)27(15-8-9-16(28)19(22)18(14)15)20(30)12-4-6-13(7-5-12)31-21(23,24)25/h4-9,29H,3,10-11H2,1-2H3,(H,27,30);4-9,28H,3,10H2,1-2H3,(H,26,29)
InChIKeyIPVQITDPQVPJHH-UHFFFAOYSA-N
XLogP8.51
TPSA161.12 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.78
LogP ≤ 58.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide?
The IUPAC name of N-ethyl-2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide (CID 87893298) is N-ethyl-2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide.
What is the SMILES notation for N-ethyl-2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide?
The canonical SMILES for N-ethyl-2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide is CCCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(O)c(F)c12.CCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(O)c(F)c12.
What is the InChIKey of N-ethyl-2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide?
The InChIKey is IPVQITDPQVPJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N2O4.C21H18F4N2O4/c1-3-10-27-18(30)11-15-12(2)28(16-8-9-17(29)20(23)19(15)16)21(31)13-4-6-14(7-5-13)32-22(24,25)26;1-3-26-17(29)10-14-11(2)27(15-8-9-16(28)19(22)18(14)15)20(30)12-4-6-13(7-5-12)31-21(23,24)25/h4-9,29H,3,10-11H2,1-2H3,(H,27,30);4-9,28H,3,10H2,1-2H3,(H,26,29).
What are the key properties of N-ethyl-2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide?
N-ethyl-2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide has a molecular weight of 890.78 g/mol, XLogP of 8.51, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide is sourced from PubChem (CID 87893298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).