methyl 2-[7-amino-4-(4-chlorophenyl)-1,2,6-trimethyl-2,3-dihydroindol-5-yl]acetate

C20H23ClN2O2 — CID 134407241

IUPACmethyl 2-[7-amino-4-(4-chlorophenyl)-1,2,6-trimethyl-2,3-dihydroindol-5-yl]acetate
SMILESCOC(=O)Cc1c(C)c(N)c2c(c1-c1ccc(Cl)cc1)CC(C)N2C
InChIInChI=1S/C20H23ClN2O2/c1-11-9-16-18(13-5-7-14(21)8-6-13)15(10-17(24)25-4)12(2)19(22)20(16)23(11)3/h5-8,11H,9-10,22H2,1-4H3
InChIKeyXNPGENBNGAGVLK-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.99
Rot. Bonds3

About methyl 2-[7-amino-4-(4-chlorophenyl)-1,2,6-trimethyl-2,3-dihydroindol-5-yl]acetate

methyl 2-[7-amino-4-(4-chlorophenyl)-1,2,6-trimethyl-2,3-dihydroindol-5-yl]acetate (PubChem CID 134407241) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is methyl 2-[7-amino-4-(4-chlorophenyl)-1,2,6-trimethyl-2,3-dihydroindol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[7-amino-4-(4-chlorophenyl)-1,2,6-trimethyl-2,3-dihydroindol-5-yl]acetate
PubChem CID134407241
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Namemethyl 2-[7-amino-4-(4-chlorophenyl)-1,2,6-trimethyl-2,3-dihydroindol-5-yl]acetate
SMILESCOC(=O)Cc1c(C)c(N)c2c(c1-c1ccc(Cl)cc1)CC(C)N2C
InChIInChI=1S/C20H23ClN2O2/c1-11-9-16-18(13-5-7-14(21)8-6-13)15(10-17(24)25-4)12(2)19(22)20(16)23(11)3/h5-8,11H,9-10,22H2,1-4H3
InChIKeyXNPGENBNGAGVLK-UHFFFAOYSA-N
XLogP3.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-amino-4-(4-chlorophenyl)-1,2,6-trimethyl-2,3-dihydroindol-5-yl]acetate?
The IUPAC name of methyl 2-[7-amino-4-(4-chlorophenyl)-1,2,6-trimethyl-2,3-dihydroindol-5-yl]acetate (CID 134407241) is methyl 2-[7-amino-4-(4-chlorophenyl)-1,2,6-trimethyl-2,3-dihydroindol-5-yl]acetate.
What is the SMILES notation for methyl 2-[7-amino-4-(4-chlorophenyl)-1,2,6-trimethyl-2,3-dihydroindol-5-yl]acetate?
The canonical SMILES for methyl 2-[7-amino-4-(4-chlorophenyl)-1,2,6-trimethyl-2,3-dihydroindol-5-yl]acetate is COC(=O)Cc1c(C)c(N)c2c(c1-c1ccc(Cl)cc1)CC(C)N2C.
What is the InChIKey of methyl 2-[7-amino-4-(4-chlorophenyl)-1,2,6-trimethyl-2,3-dihydroindol-5-yl]acetate?
The InChIKey is XNPGENBNGAGVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-11-9-16-18(13-5-7-14(21)8-6-13)15(10-17(24)25-4)12(2)19(22)20(16)23(11)3/h5-8,11H,9-10,22H2,1-4H3.
What are the key properties of methyl 2-[7-amino-4-(4-chlorophenyl)-1,2,6-trimethyl-2,3-dihydroindol-5-yl]acetate?
methyl 2-[7-amino-4-(4-chlorophenyl)-1,2,6-trimethyl-2,3-dihydroindol-5-yl]acetate has a molecular weight of 358.87 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-amino-4-(4-chlorophenyl)-1,2,6-trimethyl-2,3-dihydroindol-5-yl]acetate is sourced from PubChem (CID 134407241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).