N-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride

C22H24ClF6N3O2 — CID 44534047

IUPACN-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride
SMILESCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCCN(C)C)c(C(F)(F)F)c1)CC2.Cl
InChIInChI=1S/C22H23F6N3O2.ClH/c1-13-10-14-6-7-31(18(14)12-16(13)21(23,24)25)20(32)29-15-4-5-19(33-9-8-30(2)3)17(11-15)22(26,27)28;/h4-5,10-12H,6-9H2,1-3H3,(H,29,32);1H
InChIKeyKVCGEGJSAMFWKZ-UHFFFAOYSA-N
MW511.89 g/mol
LogP5.99
Rot. Bonds5

About N-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride

N-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride (PubChem CID 44534047) has the molecular formula C22H24ClF6N3O2 and a molecular weight of 511.89 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride
PubChem CID44534047
Molecular FormulaC22H24ClF6N3O2
Molecular Weight511.89 g/mol
Exact Mass511.15
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride
SMILESCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCCN(C)C)c(C(F)(F)F)c1)CC2.Cl
InChIInChI=1S/C22H23F6N3O2.ClH/c1-13-10-14-6-7-31(18(14)12-16(13)21(23,24)25)20(32)29-15-4-5-19(33-9-8-30(2)3)17(11-15)22(26,27)28;/h4-5,10-12H,6-9H2,1-3H3,(H,29,32);1H
InChIKeyKVCGEGJSAMFWKZ-UHFFFAOYSA-N
XLogP5.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.89
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride (CID 44534047) is N-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride is Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCCN(C)C)c(C(F)(F)F)c1)CC2.Cl.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride?
The InChIKey is KVCGEGJSAMFWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F6N3O2.ClH/c1-13-10-14-6-7-31(18(14)12-16(13)21(23,24)25)20(32)29-15-4-5-19(33-9-8-30(2)3)17(11-15)22(26,27)28;/h4-5,10-12H,6-9H2,1-3H3,(H,29,32);1H.
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride?
N-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride has a molecular weight of 511.89 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride is sourced from PubChem (CID 44534047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).