[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate

C21H23ClN2O2 — CID 15983325

IUPAC[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate
SMILESCN(C)CCC(OC(=O)c1cc2ccccc2n1C)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c1-23(2)13-12-20(15-8-10-17(22)11-9-15)26-21(25)19-14-16-6-4-5-7-18(16)24(19)3/h4-11,14,20H,12-13H2,1-3H3
InChIKeyBMAXKTGAPQGADW-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.68
Rot. Bonds6

About [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate

[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate (PubChem CID 15983325) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate
PubChem CID15983325
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate
SMILESCN(C)CCC(OC(=O)c1cc2ccccc2n1C)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c1-23(2)13-12-20(15-8-10-17(22)11-9-15)26-21(25)19-14-16-6-4-5-7-18(16)24(19)3/h4-11,14,20H,12-13H2,1-3H3
InChIKeyBMAXKTGAPQGADW-UHFFFAOYSA-N
XLogP4.68
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate?
The IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate (CID 15983325) is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate.
What is the SMILES notation for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate?
The canonical SMILES for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate is CN(C)CCC(OC(=O)c1cc2ccccc2n1C)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate?
The InChIKey is BMAXKTGAPQGADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-23(2)13-12-20(15-8-10-17(22)11-9-15)26-21(25)19-14-16-6-4-5-7-18(16)24(19)3/h4-11,14,20H,12-13H2,1-3H3.
What are the key properties of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate?
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate has a molecular weight of 370.88 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate is sourced from PubChem (CID 15983325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).