2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide

C20H23FN2O — CID 134043061

IUPAC2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CN(C)C1CCc2ccccc21
InChIInChI=1S/C20H23FN2O/c1-22(19-12-9-16-5-3-4-6-18(16)19)14-20(24)23(2)13-15-7-10-17(21)11-8-15/h3-8,10-11,19H,9,12-14H2,1-2H3
InChIKeyDRFLRXGBMUTDMV-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.40
Rot. Bonds5

About 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide

2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 134043061) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
PubChem CID134043061
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CN(C)C1CCc2ccccc21
InChIInChI=1S/C20H23FN2O/c1-22(19-12-9-16-5-3-4-6-18(16)19)14-20(24)23(2)13-15-7-10-17(21)11-8-15/h3-8,10-11,19H,9,12-14H2,1-2H3
InChIKeyDRFLRXGBMUTDMV-UHFFFAOYSA-N
XLogP3.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide (CID 134043061) is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(F)cc1)C(=O)CN(C)C1CCc2ccccc21.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is DRFLRXGBMUTDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-22(19-12-9-16-5-3-4-6-18(16)19)14-20(24)23(2)13-15-7-10-17(21)11-8-15/h3-8,10-11,19H,9,12-14H2,1-2H3.
What are the key properties of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 326.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 134043061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).