N-benzyl-N-ethyl-2-oxo-2-[2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetamide

C26H21F3N2O2 — CID 25108232

IUPACN-benzyl-N-ethyl-2-oxo-2-[2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccccc12
InChIInChI=1S/C26H21F3N2O2/c1-2-31(16-17-8-4-3-5-9-17)25(33)24(32)22-20-10-6-7-11-21(20)30-23(22)18-12-14-19(15-13-18)26(27,28)29/h3-15,30H,2,16H2,1H3
InChIKeyKQSIXCSOKWANFB-UHFFFAOYSA-N
MW450.46 g/mol
LogP6.09
Rot. Bonds6

About N-benzyl-N-ethyl-2-oxo-2-[2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetamide

N-benzyl-N-ethyl-2-oxo-2-[2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetamide (PubChem CID 25108232) has the molecular formula C26H21F3N2O2 and a molecular weight of 450.46 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-oxo-2-[2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-oxo-2-[2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetamide
PubChem CID25108232
Molecular FormulaC26H21F3N2O2
Molecular Weight450.46 g/mol
Exact Mass450.16
IUPAC NameN-benzyl-N-ethyl-2-oxo-2-[2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccccc12
InChIInChI=1S/C26H21F3N2O2/c1-2-31(16-17-8-4-3-5-9-17)25(33)24(32)22-20-10-6-7-11-21(20)30-23(22)18-12-14-19(15-13-18)26(27,28)29/h3-15,30H,2,16H2,1H3
InChIKeyKQSIXCSOKWANFB-UHFFFAOYSA-N
XLogP6.09
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.46
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-oxo-2-[2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-oxo-2-[2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetamide (CID 25108232) is N-benzyl-N-ethyl-2-oxo-2-[2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-oxo-2-[2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-oxo-2-[2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetamide is CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccccc12.
What is the InChIKey of N-benzyl-N-ethyl-2-oxo-2-[2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetamide?
The InChIKey is KQSIXCSOKWANFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O2/c1-2-31(16-17-8-4-3-5-9-17)25(33)24(32)22-20-10-6-7-11-21(20)30-23(22)18-12-14-19(15-13-18)26(27,28)29/h3-15,30H,2,16H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-oxo-2-[2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetamide?
N-benzyl-N-ethyl-2-oxo-2-[2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetamide has a molecular weight of 450.46 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-oxo-2-[2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetamide is sourced from PubChem (CID 25108232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).