N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide

C17H16FNO — CID 144743792

IUPACN-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)[C@@H]1CCc2cc(F)ccc21
InChIInChI=1S/C17H16FNO/c1-19(17(20)12-5-3-2-4-6-12)16-10-7-13-11-14(18)8-9-15(13)16/h2-6,8-9,11,16H,7,10H2,1H3/t16-/m1/s1
InChIKeyKESHQFRRHKUKOU-MRXNPFEDSA-N
MW269.32 g/mol
LogP3.59
Rot. Bonds2

About N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide

N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide (PubChem CID 144743792) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
PubChem CID144743792
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC NameN-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)[C@@H]1CCc2cc(F)ccc21
InChIInChI=1S/C17H16FNO/c1-19(17(20)12-5-3-2-4-6-12)16-10-7-13-11-14(18)8-9-15(13)16/h2-6,8-9,11,16H,7,10H2,1H3/t16-/m1/s1
InChIKeyKESHQFRRHKUKOU-MRXNPFEDSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide?
The IUPAC name of N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide (CID 144743792) is N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide.
What is the SMILES notation for N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide?
The canonical SMILES for N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide is CN(C(=O)c1ccccc1)[C@@H]1CCc2cc(F)ccc21.
What is the InChIKey of N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide?
The InChIKey is KESHQFRRHKUKOU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16FNO/c1-19(17(20)12-5-3-2-4-6-12)16-10-7-13-11-14(18)8-9-15(13)16/h2-6,8-9,11,16H,7,10H2,1H3/t16-/m1/s1.
What are the key properties of N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide?
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide has a molecular weight of 269.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide is sourced from PubChem (CID 144743792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).