2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide

C25H22F3N3O2 — CID 118935557

IUPAC2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)C(c1ccccc1)N(C(=O)c1ccccc1N)[C@@H]1CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C25H22F3N3O2/c26-25(27,28)17-12-10-15-11-13-21(19(15)14-17)31(24(33)18-8-4-5-9-20(18)29)22(23(30)32)16-6-2-1-3-7-16/h1-10,12,14,21-22H,11,13,29H2,(H2,30,32)/t21-,22?/m1/s1
InChIKeyKIRZUVNAAIBSRL-ZMFCMNQTSA-N
MW453.46 g/mol
LogP4.64
Rot. Bonds5

About 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide

2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 118935557) has the molecular formula C25H22F3N3O2 and a molecular weight of 453.46 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID118935557
Molecular FormulaC25H22F3N3O2
Molecular Weight453.46 g/mol
Exact Mass453.17
IUPAC Name2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)C(c1ccccc1)N(C(=O)c1ccccc1N)[C@@H]1CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C25H22F3N3O2/c26-25(27,28)17-12-10-15-11-13-21(19(15)14-17)31(24(33)18-8-4-5-9-20(18)29)22(23(30)32)16-6-2-1-3-7-16/h1-10,12,14,21-22H,11,13,29H2,(H2,30,32)/t21-,22?/m1/s1
InChIKeyKIRZUVNAAIBSRL-ZMFCMNQTSA-N
XLogP4.64
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 118935557) is 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide is NC(=O)C(c1ccccc1)N(C(=O)c1ccccc1N)[C@@H]1CCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is KIRZUVNAAIBSRL-ZMFCMNQTSA-N. The full InChI is InChI=1S/C25H22F3N3O2/c26-25(27,28)17-12-10-15-11-13-21(19(15)14-17)31(24(33)18-8-4-5-9-20(18)29)22(23(30)32)16-6-2-1-3-7-16/h1-10,12,14,21-22H,11,13,29H2,(H2,30,32)/t21-,22?/m1/s1.
What are the key properties of 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 453.46 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 118935557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).