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

C15H21FN2O — CID 103107186

IUPACN-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC1CCc2c(F)cccc21
InChIInChI=1S/C15H21FN2O/c1-4-18(3)15(19)10(2)17-14-9-8-11-12(14)6-5-7-13(11)16/h5-7,10,14,17H,4,8-9H2,1-3H3
InChIKeyFKRHVIRASLBCFF-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.27
Rot. Bonds4

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

N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide (PubChem CID 103107186) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
PubChem CID103107186
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC1CCc2c(F)cccc21
InChIInChI=1S/C15H21FN2O/c1-4-18(3)15(19)10(2)17-14-9-8-11-12(14)6-5-7-13(11)16/h5-7,10,14,17H,4,8-9H2,1-3H3
InChIKeyFKRHVIRASLBCFF-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indantadol
CID 10192617
2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
CID 209462
(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]pyrrolidine-2-carboxamide
CID 11166263
(2S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]pyrrolidine-2-carboxamide
CID 11750738
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 23644771
(E)-N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-3-(4-fluorophenyl)prop-2-enamide
CID 122181329
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CID 5136453
2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9363380
N-(1-phenylethyl)-2-(pyrrolidin-1-yl)acetamide
CID 17379650
N-cyclopentyl-2-(3,4-dihydro-2(1H)-isoquinolinyl)acetamide
CID 2123034
N-(S)-Pyrrolidin-3-yl-N-(2-trifluoromethyl-benzyl)-isobutyramide
CID 11602095
Allo-Ile-Isoindoline
CID 24784416

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide?
The IUPAC name of N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide (CID 103107186) is N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide.
What is the SMILES notation for N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide?
The canonical SMILES for N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide is CCN(C)C(=O)C(C)NC1CCc2c(F)cccc21.
What is the InChIKey of N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide?
The InChIKey is FKRHVIRASLBCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-4-18(3)15(19)10(2)17-14-9-8-11-12(14)6-5-7-13(11)16/h5-7,10,14,17H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide?
N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide has a molecular weight of 264.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 103107186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).