N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide

C24H17F3N2O2 — CID 149040508

IUPACN-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1cccc2c1CC=N2
InChIInChI=1S/C24H17F3N2O2/c25-24(26,27)16-6-3-5-15(13-16)14-22(30)19-7-1-2-9-21(19)29-23(31)18-8-4-10-20-17(18)11-12-28-20/h1-10,12-13H,11,14H2,(H,29,31)
InChIKeyQHMMBXXXGZASFE-UHFFFAOYSA-N
MW422.41 g/mol
LogP5.64
Rot. Bonds5

About N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide

N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide (PubChem CID 149040508) has the molecular formula C24H17F3N2O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide
PubChem CID149040508
Molecular FormulaC24H17F3N2O2
Molecular Weight422.41 g/mol
Exact Mass422.12
IUPAC NameN-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1cccc2c1CC=N2
InChIInChI=1S/C24H17F3N2O2/c25-24(26,27)16-6-3-5-15(13-16)14-22(30)19-7-1-2-9-21(19)29-23(31)18-8-4-10-20-17(18)11-12-28-20/h1-10,12-13H,11,14H2,(H,29,31)
InChIKeyQHMMBXXXGZASFE-UHFFFAOYSA-N
XLogP5.64
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-1,2-oxazole-5-carboxamide
CID 152924749
2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide
CID 162047234
N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pentanamide
CID 149202431
1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966369
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688
N-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 147729702
tert-butyl 4-[2-[2-[[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]carbamoyl]phenoxy]ethyl]piperazine-1-carboxylate
CID 149493673
2-iodo-N-[2-[2-[3-(trifluoromethylsulfonyl)phenyl]acetyl]phenyl]benzamide
CID 149040936
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90626295
[2-(2-carbamoylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767549
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-methyl-N-[2-[2-(3-thiophen-2-ylphenyl)acetyl]phenyl]benzamide
CID 157352510

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide?
The IUPAC name of N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide (CID 149040508) is N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide.
What is the SMILES notation for N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide?
The canonical SMILES for N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide is O=C(Cc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1cccc2c1CC=N2.
What is the InChIKey of N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide?
The InChIKey is QHMMBXXXGZASFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O2/c25-24(26,27)16-6-3-5-15(13-16)14-22(30)19-7-1-2-9-21(19)29-23(31)18-8-4-10-20-17(18)11-12-28-20/h1-10,12-13H,11,14H2,(H,29,31).
What are the key properties of N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide?
N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide is sourced from PubChem (CID 149040508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).