2-amino-N-(4-fluoro-2-methylphenyl)hexanamide

C13H19FN2O — CID 54928581

IUPAC2-amino-N-(4-fluoro-2-methylphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C13H19FN2O/c1-3-4-5-11(15)13(17)16-12-7-6-10(14)8-9(12)2/h6-8,11H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyZISHPFWMKUFEPD-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.59
Rot. Bonds5

About 2-amino-N-(4-fluoro-2-methylphenyl)hexanamide

2-amino-N-(4-fluoro-2-methylphenyl)hexanamide (PubChem CID 54928581) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-amino-N-(4-fluoro-2-methylphenyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(4-fluoro-2-methylphenyl)hexanamide
PubChem CID54928581
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-amino-N-(4-fluoro-2-methylphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C13H19FN2O/c1-3-4-5-11(15)13(17)16-12-7-6-10(14)8-9(12)2/h6-8,11H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyZISHPFWMKUFEPD-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-fluoro-2-methylphenyl)butanamide
CID 43649448
(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
CID 103831238
2-amino-N-(4-methoxy-2-methylphenyl)hexanamide
CID 62871713
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)hexanamide
CID 107143998
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
CID 103830888
(2S)-2-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]hexanamide
CID 103831842
(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
CID 103830807
2-amino-N-(4-fluoro-2-iodophenyl)pentanamide
CID 79766616
2-amino-N-(5-bromo-2-methylphenyl)hexanamide
CID 60854245
(2S)-2-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 103830895
(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
CID 103793966
(2S)-2-amino-N-(3-fluoro-5-methylphenyl)hexanamide
CID 103950769

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-fluoro-2-methylphenyl)hexanamide?
The IUPAC name of 2-amino-N-(4-fluoro-2-methylphenyl)hexanamide (CID 54928581) is 2-amino-N-(4-fluoro-2-methylphenyl)hexanamide.
What is the SMILES notation for 2-amino-N-(4-fluoro-2-methylphenyl)hexanamide?
The canonical SMILES for 2-amino-N-(4-fluoro-2-methylphenyl)hexanamide is CCCCC(N)C(=O)Nc1ccc(F)cc1C.
What is the InChIKey of 2-amino-N-(4-fluoro-2-methylphenyl)hexanamide?
The InChIKey is ZISHPFWMKUFEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-4-5-11(15)13(17)16-12-7-6-10(14)8-9(12)2/h6-8,11H,3-5,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(4-fluoro-2-methylphenyl)hexanamide?
2-amino-N-(4-fluoro-2-methylphenyl)hexanamide has a molecular weight of 238.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-fluoro-2-methylphenyl)hexanamide is sourced from PubChem (CID 54928581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).