cis-methyl (1R,2R)-2-[[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylate

C31H30ClF3N2O6 — CID 158136935

About cis-methyl (1R,2R)-2-[[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylate

cis-methyl (1R,2R)-2-[[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylate (PubChem CID 158136935) has the molecular formula C31H30ClF3N2O6 and a molecular weight of 619.04 g/mol. Its IUPAC name is cis-methyl (1R,2R)-2-[[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: cis-methyl (1R,2R)-2-[[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylate
• PubChem CID: 158136935
• Molecular Formula: C31H30ClF3N2O6
• Molecular Weight: 619.04 g/mol
• Exact Mass: 618.17
• IUPAC Name: cis-methyl (1R,2R)-2-[[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylate
• SMILES: COC(=O)[C@@H]1C[C@H]1COc1cc(NC(C(=O)N2CCc3ccc(OC(F)(F)F)cc32)c2ccc(Cl)cc2C)cc(OC)c1
• InChI: InChI=1S/C31H30ClF3N2O6/c1-17-10-20(32)5-7-25(17)28(29(38)37-9-8-18-4-6-22(15-27(18)37)43-31(33,34)35)36-21-12-23(40-2)14-24(13-21)42-16-19-11-26(19)30(39)41-3/h4-7,10,12-15,19,26,28,36H,8-9,11,16H2,1-3H3/t19-,26+,28?/m0/s1
• InChIKey: PAUXDURQMZJBSI-RDJCTVEXSA-N
• XLogP: 6.49
• TPSA: 86.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.04
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2R)-2-[[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylate?

The IUPAC name of cis-methyl (1R,2R)-2-[[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylate (CID 158136935) is cis-methyl (1R,2R)-2-[[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylate.

What is the SMILES notation for cis-methyl (1R,2R)-2-[[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylate?

The canonical SMILES for cis-methyl (1R,2R)-2-[[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylate is COC(=O)[C@@H]1C[C@H]1COc1cc(NC(C(=O)N2CCc3ccc(OC(F)(F)F)cc32)c2ccc(Cl)cc2C)cc(OC)c1.

What is the InChIKey of cis-methyl (1R,2R)-2-[[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylate?

The InChIKey is PAUXDURQMZJBSI-RDJCTVEXSA-N. The full InChI is InChI=1S/C31H30ClF3N2O6/c1-17-10-20(32)5-7-25(17)28(29(38)37-9-8-18-4-6-22(15-27(18)37)43-31(33,34)35)36-21-12-23(40-2)14-24(13-21)42-16-19-11-26(19)30(39)41-3/h4-7,10,12-15,19,26,28,36H,8-9,11,16H2,1-3H3/t19-,26+,28?/m0/s1.

What are the key properties of cis-methyl (1R,2R)-2-[[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylate?

cis-methyl (1R,2R)-2-[[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylate has a molecular weight of 619.04 g/mol, XLogP of 6.49, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cis-methyl (1R,2R)-2-[[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 158136935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).