3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid

C26H25F3N2O3 — CID 68606255

IUPAC3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid
SMILESCc1c(C(N)=O)cccc1-c1ccc(CNC2Cc3ccccc3C2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H24N2O.C2HF3O2/c1-16-22(7-4-8-23(16)24(25)27)18-11-9-17(10-12-18)15-26-21-13-19-5-2-3-6-20(19)14-21;3-2(4,5)1(6)7/h2-12,21,26H,13-15H2,1H3,(H2,25,27);(H,6,7)
InChIKeyUSSBNRBMWIDRSQ-UHFFFAOYSA-N
MW470.49 g/mol
LogP4.65
Rot. Bonds5

About 3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid

3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid (PubChem CID 68606255) has the molecular formula C26H25F3N2O3 and a molecular weight of 470.49 g/mol. Its IUPAC name is 3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid
PubChem CID68606255
Molecular FormulaC26H25F3N2O3
Molecular Weight470.49 g/mol
Exact Mass470.18
IUPAC Name3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid
SMILESCc1c(C(N)=O)cccc1-c1ccc(CNC2Cc3ccccc3C2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H24N2O.C2HF3O2/c1-16-22(7-4-8-23(16)24(25)27)18-11-9-17(10-12-18)15-26-21-13-19-5-2-3-6-20(19)14-21;3-2(4,5)1(6)7/h2-12,21,26H,13-15H2,1H3,(H2,25,27);(H,6,7)
InChIKeyUSSBNRBMWIDRSQ-UHFFFAOYSA-N
XLogP4.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid (CID 68606255) is 3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid is Cc1c(C(N)=O)cccc1-c1ccc(CNC2Cc3ccccc3C2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid?
The InChIKey is USSBNRBMWIDRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O.C2HF3O2/c1-16-22(7-4-8-23(16)24(25)27)18-11-9-17(10-12-18)15-26-21-13-19-5-2-3-6-20(19)14-21;3-2(4,5)1(6)7/h2-12,21,26H,13-15H2,1H3,(H2,25,27);(H,6,7).
What are the key properties of 3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid?
3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid has a molecular weight of 470.49 g/mol, XLogP of 4.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68606255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).