N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C21H24F3N3O3 — CID 67595367

IUPACN-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCCOc1c(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cccc1N(C)C
InChIInChI=1S/C21H24F3N3O3/c1-5-30-19-15(7-6-8-16(19)26(2)3)25-20(28)27-10-9-13-11-18(29-4)14(12-17(13)27)21(22,23)24/h6-8,11-12H,5,9-10H2,1-4H3,(H,25,28)
InChIKeyATXXQJXNKUWFSV-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.77
Rot. Bonds5

About N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 67595367) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID67595367
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC NameN-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCCOc1c(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cccc1N(C)C
InChIInChI=1S/C21H24F3N3O3/c1-5-30-19-15(7-6-8-16(19)26(2)3)25-20(28)27-10-9-13-11-18(29-4)14(12-17(13)27)21(22,23)24/h6-8,11-12H,5,9-10H2,1-4H3,(H,25,28)
InChIKeyATXXQJXNKUWFSV-UHFFFAOYSA-N
XLogP4.77
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-phenyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10640590
5-methoxy-N-(5-phenyl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10835537
5-methoxy-N-[3-(2-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10550406
N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 18005147
5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 71458824
2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 175813762
[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-(3-pyrimidin-5-ylphenyl)methanone
CID 70083791
5-methoxy-N-[4-(pyridin-4-ylsulfanylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;4-(pyridin-4-ylsulfanylmethyl)aniline
CID 70081253
N-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 67695293
5-methoxy-N-phenyl-N-(pyridin-4-ylsulfonylmethyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 57183557
5-methoxy-N-phenyl-N-(pyridin-4-ylmethylsulfanyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 90771545
7-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 4674354

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 67595367) is N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is CCOc1c(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cccc1N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is ATXXQJXNKUWFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-5-30-19-15(7-6-8-16(19)26(2)3)25-20(28)27-10-9-13-11-18(29-4)14(12-17(13)27)21(22,23)24/h6-8,11-12H,5,9-10H2,1-4H3,(H,25,28).
What are the key properties of N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 67595367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).