3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride

C22H24Cl2F3N3O3 — CID 44525845

IUPAC3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride
SMILESCCN(CC)CCN1C(=O)C(O)(c2ccccc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F.Cl
InChIInChI=1S/C22H23ClF3N3O3.ClH/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23;/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30);1H
InChIKeyRRHATDIHSDLAOM-UHFFFAOYSA-N
MW506.35 g/mol
LogP3.80
Rot. Bonds7

About 3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride

3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride (PubChem CID 44525845) has the molecular formula C22H24Cl2F3N3O3 and a molecular weight of 506.35 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride
PubChem CID44525845
Molecular FormulaC22H24Cl2F3N3O3
Molecular Weight506.35 g/mol
Exact Mass505.11
IUPAC Name3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride
SMILESCCN(CC)CCN1C(=O)C(O)(c2ccccc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F.Cl
InChIInChI=1S/C22H23ClF3N3O3.ClH/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23;/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30);1H
InChIKeyRRHATDIHSDLAOM-UHFFFAOYSA-N
XLogP3.80
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.35
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride?
The IUPAC name of 3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride (CID 44525845) is 3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride?
The canonical SMILES for 3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride is CCN(CC)CCN1C(=O)C(O)(c2ccccc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F.Cl.
What is the InChIKey of 3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride?
The InChIKey is RRHATDIHSDLAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF3N3O3.ClH/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23;/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30);1H.
What are the key properties of 3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride?
3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride has a molecular weight of 506.35 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride is sourced from PubChem (CID 44525845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).