N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide

C13H16FNO — CID 47380308

IUPACN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C13H16FNO/c1-8(2)13(16)15-12-7-6-9-10(12)4-3-5-11(9)14/h3-5,8,12H,6-7H2,1-2H3,(H,15,16)
InChIKeyPHPRMQXQDMRAHL-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.59
Rot. Bonds2

About N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide

N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide (PubChem CID 47380308) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide
PubChem CID47380308
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C13H16FNO/c1-8(2)13(16)15-12-7-6-9-10(12)4-3-5-11(9)14/h3-5,8,12H,6-7H2,1-2H3,(H,15,16)
InChIKeyPHPRMQXQDMRAHL-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide?
The IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide (CID 47380308) is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide is CC(C)C(=O)NC1CCc2c(F)cccc21.
What is the InChIKey of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide?
The InChIKey is PHPRMQXQDMRAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-8(2)13(16)15-12-7-6-9-10(12)4-3-5-11(9)14/h3-5,8,12H,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide?
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide has a molecular weight of 221.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide is sourced from PubChem (CID 47380308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).