2-(3-fluoro-5-methylanilino)-N-propylpropanamide

C13H19FN2O — CID 79055254

IUPAC2-(3-fluoro-5-methylanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc(C)cc(F)c1
InChIInChI=1S/C13H19FN2O/c1-4-5-15-13(17)10(3)16-12-7-9(2)6-11(14)8-12/h6-8,10,16H,4-5H2,1-3H3,(H,15,17)
InChIKeyUAFYARABFFFEQF-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.46
Rot. Bonds5

About 2-(3-fluoro-5-methylanilino)-N-propylpropanamide

2-(3-fluoro-5-methylanilino)-N-propylpropanamide (PubChem CID 79055254) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylanilino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3-fluoro-5-methylanilino)-N-propylpropanamide
PubChem CID79055254
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(3-fluoro-5-methylanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc(C)cc(F)c1
InChIInChI=1S/C13H19FN2O/c1-4-5-15-13(17)10(3)16-12-7-9(2)6-11(14)8-12/h6-8,10,16H,4-5H2,1-3H3,(H,15,17)
InChIKeyUAFYARABFFFEQF-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
2-(3-amino-5-methylanilino)-N-propylpropanamide
CID 112647452
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091
2-(4-bromo-3-fluoroanilino)-N-propylpropanamide
CID 65437335
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363
N-cyclohexyl-2-(3-fluoro-5-methylanilino)propanamide
CID 79055402
2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 104937932
2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867
2-(4-methylsulfanylanilino)-N-propylpropanamide
CID 43088199
2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide
CID 43380767
tert-butyl 2-(3-fluoro-5-methylanilino)propanoate
CID 79054844

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylanilino)-N-propylpropanamide?
The IUPAC name of 2-(3-fluoro-5-methylanilino)-N-propylpropanamide (CID 79055254) is 2-(3-fluoro-5-methylanilino)-N-propylpropanamide.
What is the SMILES notation for 2-(3-fluoro-5-methylanilino)-N-propylpropanamide?
The canonical SMILES for 2-(3-fluoro-5-methylanilino)-N-propylpropanamide is CCCNC(=O)C(C)Nc1cc(C)cc(F)c1.
What is the InChIKey of 2-(3-fluoro-5-methylanilino)-N-propylpropanamide?
The InChIKey is UAFYARABFFFEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-5-15-13(17)10(3)16-12-7-9(2)6-11(14)8-12/h6-8,10,16H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 2-(3-fluoro-5-methylanilino)-N-propylpropanamide?
2-(3-fluoro-5-methylanilino)-N-propylpropanamide has a molecular weight of 238.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylanilino)-N-propylpropanamide is sourced from PubChem (CID 79055254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).