3-(ethylamino)-3-(2-fluorophenyl)pentanamide

C13H19FN2O — CID 112680259

IUPAC3-(ethylamino)-3-(2-fluorophenyl)pentanamide
SMILESCCNC(CC)(CC(N)=O)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-3-13(16-4-2,9-12(15)17)10-7-5-6-8-11(10)14/h5-8,16H,3-4,9H2,1-2H3,(H2,15,17)
InChIKeyTUIUHTPPMMGFRB-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.92
Rot. Bonds6

About 3-(ethylamino)-3-(2-fluorophenyl)pentanamide

3-(ethylamino)-3-(2-fluorophenyl)pentanamide (PubChem CID 112680259) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(ethylamino)-3-(2-fluorophenyl)pentanamide.

Molecular Properties

Compound Name3-(ethylamino)-3-(2-fluorophenyl)pentanamide
PubChem CID112680259
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-(ethylamino)-3-(2-fluorophenyl)pentanamide
SMILESCCNC(CC)(CC(N)=O)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-3-13(16-4-2,9-12(15)17)10-7-5-6-8-11(10)14/h5-8,16H,3-4,9H2,1-2H3,(H2,15,17)
InChIKeyTUIUHTPPMMGFRB-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol
CID 112679656
2-(2-fluorophenyl)-2-(methylamino)butan-1-ol
CID 112679658
2-(2-fluorophenyl)-2-(methylamino)butanamide
CID 112677135
3-(ethylamino)-4-methoxy-3-phenylbutanamide
CID 103466305
2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide
CID 112677148
3-(3-fluorophenyl)-3-(methylamino)pentanamide
CID 114873102
N-ethyl-3-phenylpentan-3-amine;octadecanamide;hydrochloride
CID 174665046
4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol
CID 66089558
diethyl 2-benzyl-2-(2-fluorophenyl)propanedioate
CID 114982602
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
(3S)-3-amino-3-(2-fluorophenyl)butan-2-one
CID 122592093
3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide
CID 104580524

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-(2-fluorophenyl)pentanamide?
The IUPAC name of 3-(ethylamino)-3-(2-fluorophenyl)pentanamide (CID 112680259) is 3-(ethylamino)-3-(2-fluorophenyl)pentanamide.
What is the SMILES notation for 3-(ethylamino)-3-(2-fluorophenyl)pentanamide?
The canonical SMILES for 3-(ethylamino)-3-(2-fluorophenyl)pentanamide is CCNC(CC)(CC(N)=O)c1ccccc1F.
What is the InChIKey of 3-(ethylamino)-3-(2-fluorophenyl)pentanamide?
The InChIKey is TUIUHTPPMMGFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-13(16-4-2,9-12(15)17)10-7-5-6-8-11(10)14/h5-8,16H,3-4,9H2,1-2H3,(H2,15,17).
What are the key properties of 3-(ethylamino)-3-(2-fluorophenyl)pentanamide?
3-(ethylamino)-3-(2-fluorophenyl)pentanamide has a molecular weight of 238.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-(2-fluorophenyl)pentanamide is sourced from PubChem (CID 112680259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).