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

C26H24F3N3O2 — CID 10983506

IUPACN-[2-(dimethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)C(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1
InChIInChI=1S/C26H24F3N3O2/c1-32(2)25(34)31-21-13-17-9-12-20(14-18(17)15-21)30-24(33)23-6-4-3-5-22(23)16-7-10-19(11-8-16)26(27,28)29/h3-12,14,21H,13,15H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyTZNSZZMLARSGAI-UHFFFAOYSA-N
MW467.49 g/mol
LogP5.36
Rot. Bonds4

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

N-[2-(dimethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 10983506) has the molecular formula C26H24F3N3O2 and a molecular weight of 467.49 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID10983506
Molecular FormulaC26H24F3N3O2
Molecular Weight467.49 g/mol
Exact Mass467.18
IUPAC NameN-[2-(dimethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)C(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1
InChIInChI=1S/C26H24F3N3O2/c1-32(2)25(34)31-21-13-17-9-12-20(14-18(17)15-21)30-24(33)23-6-4-3-5-22(23)16-7-10-19(11-8-16)26(27,28)29/h3-12,14,21H,13,15H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyTZNSZZMLARSGAI-UHFFFAOYSA-N
XLogP5.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.49
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 10983506) is N-[2-(dimethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide is CN(C)C(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is TZNSZZMLARSGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O2/c1-32(2)25(34)31-21-13-17-9-12-20(14-18(17)15-21)30-24(33)23-6-4-3-5-22(23)16-7-10-19(11-8-16)26(27,28)29/h3-12,14,21H,13,15H2,1-2H3,(H,30,33)(H,31,34).
What are the key properties of N-[2-(dimethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[2-(dimethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 467.49 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 10983506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).