2-(6-chloro-1H-indol-3-yl)-N-(3-phenylpyrrolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid

C22H21ClF3N3O3 — CID 166362999

IUPAC2-(6-chloro-1H-indol-3-yl)-N-(3-phenylpyrrolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)NC1(c2ccccc2)CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H20ClN3O.C2HF3O2/c21-16-6-7-17-14(12-23-18(17)11-16)10-19(25)24-20(8-9-22-13-20)15-4-2-1-3-5-15;3-2(4,5)1(6)7/h1-7,11-12,22-23H,8-10,13H2,(H,24,25);(H,6,7)
InChIKeyNXIZNDBMKZBPES-UHFFFAOYSA-N
MW467.88 g/mol
LogP4.00
Rot. Bonds4

About 2-(6-chloro-1H-indol-3-yl)-N-(3-phenylpyrrolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid

2-(6-chloro-1H-indol-3-yl)-N-(3-phenylpyrrolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 166362999) has the molecular formula C22H21ClF3N3O3 and a molecular weight of 467.88 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-N-(3-phenylpyrrolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-N-(3-phenylpyrrolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID166362999
Molecular FormulaC22H21ClF3N3O3
Molecular Weight467.88 g/mol
Exact Mass467.12
IUPAC Name2-(6-chloro-1H-indol-3-yl)-N-(3-phenylpyrrolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)NC1(c2ccccc2)CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H20ClN3O.C2HF3O2/c21-16-6-7-17-14(12-23-18(17)11-16)10-19(25)24-20(8-9-22-13-20)15-4-2-1-3-5-15;3-2(4,5)1(6)7/h1-7,11-12,22-23H,8-10,13H2,(H,24,25);(H,6,7)
InChIKeyNXIZNDBMKZBPES-UHFFFAOYSA-N
XLogP4.00
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.88
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 113098868
2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113209736
4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide
CID 86885238
3-fluoro-N-(1H-indol-3-ylmethyl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 172894794
2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide
CID 110864641
2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84700341
2-(6-chloro-1H-indol-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 113209805
4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride
CID 142638824
N-(isoquinolin-6-ylmethyl)-3-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 166341718
2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid
CID 167791913
2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 113209792
2-(6-chloro-1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113209743

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(3-phenylpyrrolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(3-phenylpyrrolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid (CID 166362999) is 2-(6-chloro-1H-indol-3-yl)-N-(3-phenylpyrrolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-N-(3-phenylpyrrolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-N-(3-phenylpyrrolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid is O=C(Cc1c[nH]c2cc(Cl)ccc12)NC1(c2ccccc2)CCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-N-(3-phenylpyrrolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is NXIZNDBMKZBPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O.C2HF3O2/c21-16-6-7-17-14(12-23-18(17)11-16)10-19(25)24-20(8-9-22-13-20)15-4-2-1-3-5-15;3-2(4,5)1(6)7/h1-7,11-12,22-23H,8-10,13H2,(H,24,25);(H,6,7).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-N-(3-phenylpyrrolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid?
2-(6-chloro-1H-indol-3-yl)-N-(3-phenylpyrrolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 467.88 g/mol, XLogP of 4.00, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-N-(3-phenylpyrrolidin-3-yl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166362999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).