2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide

C25H24FN3O2 — CID 36679237

IUPAC2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)[C@@H]1CCc2ccccc21
InChIInChI=1S/C25H24FN3O2/c1-29(23-15-10-17-6-2-3-7-20(17)23)16-24(30)28-22-9-5-4-8-21(22)25(31)27-19-13-11-18(26)12-14-19/h2-9,11-14,23H,10,15-16H2,1H3,(H,27,31)(H,28,30)/t23-/m1/s1
InChIKeyBRTFDXWYCOLUQG-HSZRJFAPSA-N
MW417.48 g/mol
LogP4.64
Rot. Bonds6

About 2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide

2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide (PubChem CID 36679237) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide
PubChem CID36679237
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)[C@@H]1CCc2ccccc21
InChIInChI=1S/C25H24FN3O2/c1-29(23-15-10-17-6-2-3-7-20(17)23)16-24(30)28-22-9-5-4-8-21(22)25(31)27-19-13-11-18(26)12-14-19/h2-9,11-14,23H,10,15-16H2,1H3,(H,27,31)(H,28,30)/t23-/m1/s1
InChIKeyBRTFDXWYCOLUQG-HSZRJFAPSA-N
XLogP4.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]benzamide
CID 36677817
N-(2-acetylphenyl)-2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 43025249
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-naphthalen-1-ylacetamide
CID 36674335
4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 36677187
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
CID 55533983
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 36674099
N-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
CID 55534372
N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
CID 36676150
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 9348216
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 9348212

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide (CID 36679237) is 2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide is CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)[C@@H]1CCc2ccccc21.
What is the InChIKey of 2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide?
The InChIKey is BRTFDXWYCOLUQG-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-29(23-15-10-17-6-2-3-7-20(17)23)16-24(30)28-22-9-5-4-8-21(22)25(31)27-19-13-11-18(26)12-14-19/h2-9,11-14,23H,10,15-16H2,1H3,(H,27,31)(H,28,30)/t23-/m1/s1.
What are the key properties of 2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide?
2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide has a molecular weight of 417.48 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 36679237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).