6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide

C22H19ClF3N3O2 — CID 166189903

IUPAC6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
SMILESO=C(NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C22H19ClF3N3O2/c23-16-7-6-14-10-18(27-17(14)11-16)21(31)28-19(12-29-8-2-5-20(29)30)13-3-1-4-15(9-13)22(24,25)26/h1,3-4,6-7,9-11,19,27H,2,5,8,12H2,(H,28,31)
InChIKeyIAYCGHRTOGHFHQ-UHFFFAOYSA-N
MW449.86 g/mol
LogP4.93
Rot. Bonds5

About 6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide

6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide (PubChem CID 166189903) has the molecular formula C22H19ClF3N3O2 and a molecular weight of 449.86 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
PubChem CID166189903
Molecular FormulaC22H19ClF3N3O2
Molecular Weight449.86 g/mol
Exact Mass449.11
IUPAC Name6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
SMILESO=C(NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C22H19ClF3N3O2/c23-16-7-6-14-10-18(27-17(14)11-16)21(31)28-19(12-29-8-2-5-20(29)30)13-3-1-4-15(9-13)22(24,25)26/h1,3-4,6-7,9-11,19,27H,2,5,8,12H2,(H,28,31)
InChIKeyIAYCGHRTOGHFHQ-UHFFFAOYSA-N
XLogP4.93
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.86
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 94118048
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94118050
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51948068
N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
CID 55714604
2-(2-chlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42961750
N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide
CID 86966069
3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55962252
1-(4-fluoro-3-methylphenyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 86888512
2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide
CID 86834039
4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 55714545
(2R)-2-methylsulfanyl-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51953556
4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 47036069

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide (CID 166189903) is 6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide is O=C(NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is IAYCGHRTOGHFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O2/c23-16-7-6-14-10-18(27-17(14)11-16)21(31)28-19(12-29-8-2-5-20(29)30)13-3-1-4-15(9-13)22(24,25)26/h1,3-4,6-7,9-11,19,27H,2,5,8,12H2,(H,28,31).
What are the key properties of 6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide?
6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 449.86 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166189903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).