N-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide

C25H18F4N2O2 — CID 17234190

IUPACN-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide
SMILESCc1c(F)cccc1NC(=O)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C25H18F4N2O2/c1-15-20(26)9-5-10-21(15)30-24(33)23(32)19-14-31(22-11-3-2-8-18(19)22)13-16-6-4-7-17(12-16)25(27,28)29/h2-12,14H,13H2,1H3,(H,30,33)
InChIKeyKENQARQLOWVEER-UHFFFAOYSA-N
MW454.42 g/mol
LogP5.98
Rot. Bonds5

About N-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide

N-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide (PubChem CID 17234190) has the molecular formula C25H18F4N2O2 and a molecular weight of 454.42 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide
PubChem CID17234190
Molecular FormulaC25H18F4N2O2
Molecular Weight454.42 g/mol
Exact Mass454.13
IUPAC NameN-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide
SMILESCc1c(F)cccc1NC(=O)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C25H18F4N2O2/c1-15-20(26)9-5-10-21(15)30-24(33)23(32)19-14-31(22-11-3-2-8-18(19)22)13-16-6-4-7-17(12-16)25(27,28)29/h2-12,14H,13H2,1H3,(H,30,33)
InChIKeyKENQARQLOWVEER-UHFFFAOYSA-N
XLogP5.98
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.42
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide
CID 46786093
N-[1-(4-methoxyphenyl)propan-2-yl]-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide
CID 46786091
1-[(4-chlorophenyl)methyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]indole-3-carboxamide
CID 166984640
N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 5303659
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406
ethyl 2-(1-benzylindol-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylamino]acetate;hydrochloride
CID 67883986
2-(1-benzylindol-3-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]acetohydrazide
CID 54467660
1-pyrrolidin-1-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfanylethanone
CID 178072281
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-[[3-(trifluoromethyl)phenyl]methylamino]acetic acid
CID 19796590
2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155797600
N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 46227998
N-(2-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085757

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide (CID 17234190) is N-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide is Cc1c(F)cccc1NC(=O)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide?
The InChIKey is KENQARQLOWVEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N2O2/c1-15-20(26)9-5-10-21(15)30-24(33)23(32)19-14-31(22-11-3-2-8-18(19)22)13-16-6-4-7-17(12-16)25(27,28)29/h2-12,14H,13H2,1H3,(H,30,33).
What are the key properties of N-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide?
N-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide has a molecular weight of 454.42 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide is sourced from PubChem (CID 17234190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).