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

C25H21F3N2O2 — CID 10917146

IUPACN-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1
InChIInChI=1S/C25H21F3N2O2/c1-15(31)29-21-12-17-8-11-20(13-18(17)14-21)30-24(32)23-5-3-2-4-22(23)16-6-9-19(10-7-16)25(26,27)28/h2-11,13,21H,12,14H2,1H3,(H,29,31)(H,30,32)
InChIKeyLDMOLCOFCNCFPU-UHFFFAOYSA-N
MW438.45 g/mol
LogP5.23
Rot. Bonds4

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

N-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 10917146) has the molecular formula C25H21F3N2O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is N-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID10917146
Molecular FormulaC25H21F3N2O2
Molecular Weight438.45 g/mol
Exact Mass438.16
IUPAC NameN-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1
InChIInChI=1S/C25H21F3N2O2/c1-15(31)29-21-12-17-8-11-20(13-18(17)14-21)30-24(32)23-5-3-2-4-22(23)16-6-9-19(10-7-16)25(26,27)28/h2-11,13,21H,12,14H2,1H3,(H,29,31)(H,30,32)
InChIKeyLDMOLCOFCNCFPU-UHFFFAOYSA-N
XLogP5.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (CID 10917146) is N-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is CC(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1.
What is the InChIKey of N-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is LDMOLCOFCNCFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O2/c1-15(31)29-21-12-17-8-11-20(13-18(17)14-21)30-24(32)23-5-3-2-4-22(23)16-6-9-19(10-7-16)25(26,27)28/h2-11,13,21H,12,14H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
N-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 438.45 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 10917146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).