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

C12H17FN2O — CID 43650206

IUPAC2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
SMILESCCCC(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)
InChIKeyMNEZOLYIRPEMIQ-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.20
Rot. Bonds4

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

2-amino-N-(2-fluoro-4-methylphenyl)pentanamide (PubChem CID 43650206) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-amino-N-(2-fluoro-4-methylphenyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
PubChem CID43650206
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
SMILESCCCC(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)
InChIKeyMNEZOLYIRPEMIQ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluoro-4-methylphenyl)pentanamide?
The IUPAC name of 2-amino-N-(2-fluoro-4-methylphenyl)pentanamide (CID 43650206) is 2-amino-N-(2-fluoro-4-methylphenyl)pentanamide.
What is the SMILES notation for 2-amino-N-(2-fluoro-4-methylphenyl)pentanamide?
The canonical SMILES for 2-amino-N-(2-fluoro-4-methylphenyl)pentanamide is CCCC(N)C(=O)Nc1ccc(C)cc1F.
What is the InChIKey of 2-amino-N-(2-fluoro-4-methylphenyl)pentanamide?
The InChIKey is MNEZOLYIRPEMIQ-UHFFFAOYSA-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).
What are the key properties of 2-amino-N-(2-fluoro-4-methylphenyl)pentanamide?
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 2-amino-N-(2-fluoro-4-methylphenyl)pentanamide is sourced from PubChem (CID 43650206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).