3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid

C23H24ClF3N4O3 — CID 166364066

IUPAC3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC1(c2ccccc2)CCN(C(=O)NCCc2c[nH]c3c(Cl)cccc23)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H23ClN4O.C2HF3O2/c22-18-8-4-7-17-15(13-25-19(17)18)9-11-24-20(27)26-12-10-21(23,14-26)16-5-2-1-3-6-16;3-2(4,5)1(6)7/h1-8,13,25H,9-12,14,23H2,(H,24,27);(H,6,7)
InChIKeyQINLLTYGLZPZGY-UHFFFAOYSA-N
MW496.92 g/mol
LogP4.27
Rot. Bonds4

About 3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid

3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166364066) has the molecular formula C23H24ClF3N4O3 and a molecular weight of 496.92 g/mol. Its IUPAC name is 3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166364066
Molecular FormulaC23H24ClF3N4O3
Molecular Weight496.92 g/mol
Exact Mass496.15
IUPAC Name3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC1(c2ccccc2)CCN(C(=O)NCCc2c[nH]c3c(Cl)cccc23)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H23ClN4O.C2HF3O2/c22-18-8-4-7-17-15(13-25-19(17)18)9-11-24-20(27)26-12-10-21(23,14-26)16-5-2-1-3-6-16;3-2(4,5)1(6)7/h1-8,13,25H,9-12,14,23H2,(H,24,27);(H,6,7)
InChIKeyQINLLTYGLZPZGY-UHFFFAOYSA-N
XLogP4.27
TPSA111.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.92
LogP ≤ 54.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 146093918
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CID 146093926
N-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
CID 167975090
1-[2-(7-chloro-1H-indol-3-yl)ethyl]cyclopropan-1-amine
CID 105495625
4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113107720
1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122003471
N-[2-(5,6-difluoro-1H-indol-3-yl)ethyl]-3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 167901219
(3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 138057346
N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine
CID 76846630
2-(7-chloro-1H-indol-3-yl)acetamide
CID 10703607
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 139010935
1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 166364066) is 3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid is NC1(c2ccccc2)CCN(C(=O)NCCc2c[nH]c3c(Cl)cccc23)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is QINLLTYGLZPZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O.C2HF3O2/c22-18-8-4-7-17-15(13-25-19(17)18)9-11-24-20(27)26-12-10-21(23,14-26)16-5-2-1-3-6-16;3-2(4,5)1(6)7/h1-8,13,25H,9-12,14,23H2,(H,24,27);(H,6,7).
What are the key properties of 3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid?
3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 496.92 g/mol, XLogP of 4.27, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166364066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).