(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide

C12H17FN2O — CID 93255538

IUPAC(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1ccc(C)cc1F
InChIInChI=1S/C12H17FN2O/c1-3-4-10(14)12(16)15-11-6-5-8(2)7-9(11)13/h5-7,10H,3-4,14H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyMNEZOLYIRPEMIQ-SNVBAGLBSA-N
MW224.28 g/mol
LogP2.20
Rot. Bonds4

About (2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide

(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide (PubChem CID 93255538) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
PubChem CID93255538
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1ccc(C)cc1F
InChIInChI=1S/C12H17FN2O/c1-3-4-10(14)12(16)15-11-6-5-8(2)7-9(11)13/h5-7,10H,3-4,14H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyMNEZOLYIRPEMIQ-SNVBAGLBSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 43650206
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-4-methylsulfanylbutanamide
CID 61148606
2-ethyl-N-(2-fluoro-4-methylphenyl)pentanamide
CID 145282464
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
CID 103830888
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
CID 61148813
(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide
CID 79025128
(2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide
CID 107568802
2-amino-N-(4-fluoro-2-iodophenyl)pentanamide
CID 79766616
(2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide
CID 94872912
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
CID 103793966
(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
CID 103830807

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide?
The IUPAC name of (2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide (CID 93255538) is (2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide?
The canonical SMILES for (2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide is CCC[C@@H](N)C(=O)Nc1ccc(C)cc1F.
What is the InChIKey of (2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide?
The InChIKey is MNEZOLYIRPEMIQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-4-10(14)12(16)15-11-6-5-8(2)7-9(11)13/h5-7,10H,3-4,14H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide?
(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide has a molecular weight of 224.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide is sourced from PubChem (CID 93255538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).