(2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone

C27H25ClF4N2O5 — CID 175715763

IUPAC(2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1cc(N[C@@H](C(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)c2ccc(Cl)cc2F)cc(OCCO)c1
InChIInChI=1S/C27H25ClF4N2O5/c1-37-18-11-17(12-19(13-18)39-8-7-35)33-25(20-4-3-16(28)10-22(20)29)26(36)34-6-5-15-9-24(38-2)21(14-23(15)34)27(30,31)32/h3-4,9-14,25,33,35H,5-8H2,1-2H3/t25-/m1/s1
InChIKeyRFVIXCXNRKGQLU-RUZDIDTESA-N
MW568.95 g/mol
LogP5.63
Rot. Bonds9

About (2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone

(2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 175715763) has the molecular formula C27H25ClF4N2O5 and a molecular weight of 568.95 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name(2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID175715763
Molecular FormulaC27H25ClF4N2O5
Molecular Weight568.95 g/mol
Exact Mass568.14
IUPAC Name(2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1cc(N[C@@H](C(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)c2ccc(Cl)cc2F)cc(OCCO)c1
InChIInChI=1S/C27H25ClF4N2O5/c1-37-18-11-17(12-19(13-18)39-8-7-35)33-25(20-4-3-16(28)10-22(20)29)26(36)34-6-5-15-9-24(38-2)21(14-23(15)34)27(30,31)32/h3-4,9-14,25,33,35H,5-8H2,1-2H3/t25-/m1/s1
InChIKeyRFVIXCXNRKGQLU-RUZDIDTESA-N
XLogP5.63
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.95
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

(2R)-2-(4-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 175715816
2-(4-chlorophenyl)-1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]ethanone
CID 131964289
4-[3-[[(3S)-3-(4-chloro-2-fluorophenyl)-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-1-oxobutan-2-yl]amino]-5-methoxyphenoxy]butanoic acid
CID 138553174
2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methyl-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone
CID 158135044
2-(4-chlorophenyl)-1-(5,6-dimethyl-2,3-dihydroindol-1-yl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]ethanone
CID 157262535
2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 131964279
2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chlorophenyl]-2-[3-methoxy-5-(1,2,4-triazol-1-yl)anilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 151020824
4-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid;molecular hydrogen
CID 167555586
methyl 4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2,2-dimethylbutanoate
CID 162207124
4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid
CID 142476960
cis-(1S,2S)-2-[[3-[[1-(4-chloro-2-methoxyphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylic acid
CID 150144185
methyl 2-[[3-[[1-(4-chloro-2-methoxyphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylate
CID 153408441

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of (2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone (CID 175715763) is (2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for (2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for (2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone is COc1cc(N[C@@H](C(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)c2ccc(Cl)cc2F)cc(OCCO)c1.
What is the InChIKey of (2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is RFVIXCXNRKGQLU-RUZDIDTESA-N. The full InChI is InChI=1S/C27H25ClF4N2O5/c1-37-18-11-17(12-19(13-18)39-8-7-35)33-25(20-4-3-16(28)10-22(20)29)26(36)34-6-5-15-9-24(38-2)21(14-23(15)34)27(30,31)32/h3-4,9-14,25,33,35H,5-8H2,1-2H3/t25-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?
(2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 568.95 g/mol, XLogP of 5.63, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-2-fluorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 175715763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).