(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide

C11H15FN2O — CID 79025128

IUPAC(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C11H15FN2O/c1-3-9(13)11(15)14-10-6-7(2)4-5-8(10)12/h4-6,9H,3,13H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyMBNOMEAYVGJGJL-VIFPVBQESA-N
MW210.25 g/mol
LogP1.81
Rot. Bonds3

About (2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide

(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide (PubChem CID 79025128) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide
PubChem CID79025128
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C11H15FN2O/c1-3-9(13)11(15)14-10-6-7(2)4-5-8(10)12/h4-6,9H,3,13H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyMBNOMEAYVGJGJL-VIFPVBQESA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide
CID 52892789
2-amino-N-(5-bromo-2-fluorophenyl)butanamide
CID 43649633
2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 76892554
(2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide
CID 97315329
2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide
CID 81081841
2-amino-N-(2-fluoro-5-nitrophenyl)butanamide
CID 60779876
2-amino-N-(5-methyl-2-nitrophenyl)butanamide
CID 112557726
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 43650206
(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 93255538
2-amino-N-(4-fluoro-2-methylphenyl)butanamide
CID 43649448
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
CID 79025044

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide (CID 79025128) is (2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide is CC[C@H](N)C(=O)Nc1cc(C)ccc1F.
What is the InChIKey of (2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide?
The InChIKey is MBNOMEAYVGJGJL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15FN2O/c1-3-9(13)11(15)14-10-6-7(2)4-5-8(10)12/h4-6,9H,3,13H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide?
(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide has a molecular weight of 210.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide is sourced from PubChem (CID 79025128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).