N-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide

C24H19F3N2O2 — CID 139944299

IUPACN-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(=O)C1NCc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C24H19F3N2O2/c1-14(30)22-20-11-10-18(12-16(20)13-28-22)29-23(31)21-5-3-2-4-19(21)15-6-8-17(9-7-15)24(25,26)27/h2-12,22,28H,13H2,1H3,(H,29,31)
InChIKeyIJVRFOWMHLWOLU-UHFFFAOYSA-N
MW424.42 g/mol
LogP5.36
Rot. Bonds4

About N-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide

N-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 139944299) has the molecular formula C24H19F3N2O2 and a molecular weight of 424.42 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID139944299
Molecular FormulaC24H19F3N2O2
Molecular Weight424.42 g/mol
Exact Mass424.14
IUPAC NameN-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(=O)C1NCc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C24H19F3N2O2/c1-14(30)22-20-11-10-18(12-16(20)13-28-22)29-23(31)21-5-3-2-4-19(21)15-6-8-17(9-7-15)24(25,26)27/h2-12,22,28H,13H2,1H3,(H,29,31)
InChIKeyIJVRFOWMHLWOLU-UHFFFAOYSA-N
XLogP5.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.42
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092
N-[2-(ethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943858
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 37015144
2-(4-propanoylphenyl)-N-[1-(2-pyrazol-1-ylacetyl)-2,3-dihydro-1H-isoindol-5-yl]benzamide
CID 139944363
2-(4-aminophenyl)-N-[1-(2-pyrazol-1-ylacetyl)-2,3-dihydro-1H-isoindol-5-yl]benzamide
CID 139944348
N-[2-(propylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943847
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 30807726
N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 139944375
N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58002843
methyl 4-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]piperazine-1-carboxylate
CID 20772350
N-(2-dodecyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70311573
2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 29176493

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (CID 139944299) is N-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is CC(=O)C1NCc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is IJVRFOWMHLWOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O2/c1-14(30)22-20-11-10-18(12-16(20)13-28-22)29-23(31)21-5-3-2-4-19(21)15-6-8-17(9-7-15)24(25,26)27/h2-12,22,28H,13H2,1H3,(H,29,31).
What are the key properties of N-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
N-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 424.42 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 139944299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).