N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide

C13H19FN2O — CID 81347490

IUPACN-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
SMILESCCNC(=O)CCN[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-3-15-13(17)8-9-16-10(2)11-4-6-12(14)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyXQWRDHCLKVZZGE-JTQLQIEISA-N
MW238.31 g/mol
LogP2.00
Rot. Bonds6

About N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide

N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide (PubChem CID 81347490) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
PubChem CID81347490
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
SMILESCCNC(=O)CCN[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-3-15-13(17)8-9-16-10(2)11-4-6-12(14)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyXQWRDHCLKVZZGE-JTQLQIEISA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-[1-(4-methylphenyl)ethylamino]propanamide
CID 62325873
3-[1-(4-fluorophenyl)ethylamino]propanoic acid
CID 43087255
N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide
CID 115902066
3-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-ethylpropanamide
CID 114068412
ethyl 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]propanoate
CID 81348224
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231
N-ethyl-3-(4-fluoroanilino)propanamide
CID 62324389
3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide
CID 47006436
N-[1-(4-fluorophenyl)ethyl]-3-methylbut-3-en-1-amine
CID 114449108
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine
CID 81347805
3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 112700113

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide?
The IUPAC name of N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide (CID 81347490) is N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide.
What is the SMILES notation for N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide?
The canonical SMILES for N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide is CCNC(=O)CCN[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide?
The InChIKey is XQWRDHCLKVZZGE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-15-13(17)8-9-16-10(2)11-4-6-12(14)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17)/t10-/m0/s1.
What are the key properties of N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide?
N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide has a molecular weight of 238.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide is sourced from PubChem (CID 81347490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).