N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide

C21H19F3N2O2 — CID 68701762

IUPACN-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
SMILESCC(=O)N1CCc2ccc(NC(=O)c3ccc(C=CC(F)(F)F)cc3C)cc21
InChIInChI=1S/C21H19F3N2O2/c1-13-11-15(7-9-21(22,23)24)3-6-18(13)20(28)25-17-5-4-16-8-10-26(14(2)27)19(16)12-17/h3-7,9,11-12H,8,10H2,1-2H3,(H,25,28)
InChIKeyHICRLRGXCNGOCJ-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.73
Rot. Bonds3

About N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide

N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide (PubChem CID 68701762) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
PubChem CID68701762
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC NameN-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
SMILESCC(=O)N1CCc2ccc(NC(=O)c3ccc(C=CC(F)(F)F)cc3C)cc21
InChIInChI=1S/C21H19F3N2O2/c1-13-11-15(7-9-21(22,23)24)3-6-18(13)20(28)25-17-5-4-16-8-10-26(14(2)27)19(16)12-17/h3-7,9,11-12H,8,10H2,1-2H3,(H,25,28)
InChIKeyHICRLRGXCNGOCJ-UHFFFAOYSA-N
XLogP4.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 24803231
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-dimethylbenzamide
CID 42424076
N-(1-acetyl-2,3-dihydroindol-6-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 110627246
N-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 68704570
N-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 11854668
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide
CID 7527150
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide
CID 7586167
2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 68703609
N-[(3S)-3-ethyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 59138753
N-(1-acetyl-2,3-dihydroindol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110627216
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-hydroxy-4-methylbenzamide
CID 35805071
methyl 2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzoate
CID 68702082

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide (CID 68701762) is N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide is CC(=O)N1CCc2ccc(NC(=O)c3ccc(C=CC(F)(F)F)cc3C)cc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The InChIKey is HICRLRGXCNGOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-13-11-15(7-9-21(22,23)24)3-6-18(13)20(28)25-17-5-4-16-8-10-26(14(2)27)19(16)12-17/h3-7,9,11-12H,8,10H2,1-2H3,(H,25,28).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide has a molecular weight of 388.39 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide is sourced from PubChem (CID 68701762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).