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

C13H17FN2O — CID 81327848

IUPAC2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC1CCc2c(F)cccc21
InChIInChI=1S/C13H17FN2O/c1-8(13(17)15-2)16-12-7-6-9-10(12)4-3-5-11(9)14/h3-5,8,12,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyUIFXPAIUGWHFPY-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.54
Rot. Bonds3

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

2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide (PubChem CID 81327848) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
PubChem CID81327848
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC1CCc2c(F)cccc21
InChIInChI=1S/C13H17FN2O/c1-8(13(17)15-2)16-12-7-6-9-10(12)4-3-5-11(9)14/h3-5,8,12,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyUIFXPAIUGWHFPY-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 103107186
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 78956060
N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065507
3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
CID 79489715
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid
CID 83069027
4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 83067010
4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79492992
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide
CID 103721645
(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide
CID 96538056
N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 54950260

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide (CID 81327848) is 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide is CNC(=O)C(C)NC1CCc2c(F)cccc21.
What is the InChIKey of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide?
The InChIKey is UIFXPAIUGWHFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8(13(17)15-2)16-12-7-6-9-10(12)4-3-5-11(9)14/h3-5,8,12,16H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide?
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide has a molecular weight of 236.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 81327848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).