N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide

C14H19FN2O — CID 116531134

IUPACN-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
SMILESCCNC(=O)CCNC1CCc2cc(F)ccc21
InChIInChI=1S/C14H19FN2O/c1-2-16-14(18)7-8-17-13-6-3-10-9-11(15)4-5-12(10)13/h4-5,9,13,17H,2-3,6-8H2,1H3,(H,16,18)
InChIKeyUVTBKJTXOLYCJU-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.93
Rot. Bonds5

About N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide

N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide (PubChem CID 116531134) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
PubChem CID116531134
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
SMILESCCNC(=O)CCNC1CCc2cc(F)ccc21
InChIInChI=1S/C14H19FN2O/c1-2-16-14(18)7-8-17-13-6-3-10-9-11(15)4-5-12(10)13/h4-5,9,13,17H,2-3,6-8H2,1H3,(H,16,18)
InChIKeyUVTBKJTXOLYCJU-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 116530837
2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethylurea
CID 116531124
3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide
CID 107682295
5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
CID 116531093
N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
CID 94212219
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115706133
5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol
CID 107303158
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanenitrile
CID 115591788
5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115888863
2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol
CID 103904666
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide
CID 79730548
5-fluoro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 113259796

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide?
The IUPAC name of N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide (CID 116531134) is N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide.
What is the SMILES notation for N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide?
The canonical SMILES for N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide is CCNC(=O)CCNC1CCc2cc(F)ccc21.
What is the InChIKey of N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide?
The InChIKey is UVTBKJTXOLYCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-16-14(18)7-8-17-13-6-3-10-9-11(15)4-5-12(10)13/h4-5,9,13,17H,2-3,6-8H2,1H3,(H,16,18).
What are the key properties of N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide?
N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide has a molecular weight of 250.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide is sourced from PubChem (CID 116531134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).