5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide

C13H19FN2O — CID 82016801

IUPAC5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
SMILESCc1cc(F)ccc1NC(=O)CCC(C)CN
InChIInChI=1S/C13H19FN2O/c1-9(8-15)3-6-13(17)16-12-5-4-11(14)7-10(12)2/h4-5,7,9H,3,6,8,15H2,1-2H3,(H,16,17)
InChIKeyBJIXJVCDMKUPDW-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.45
Rot. Bonds5

About 5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide

5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide (PubChem CID 82016801) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
PubChem CID82016801
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
SMILESCc1cc(F)ccc1NC(=O)CCC(C)CN
InChIInChI=1S/C13H19FN2O/c1-9(8-15)3-6-13(17)16-12-5-4-11(14)7-10(12)2/h4-5,7,9H,3,6,8,15H2,1-2H3,(H,16,17)
InChIKeyBJIXJVCDMKUPDW-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide
CID 81070633
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
methyl 2-[(5-amino-4-methylpentanoyl)amino]-4-fluorobenzoate
CID 82012104
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598
5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
CID 82011572
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 17283084
N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 82013453
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 50875807
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide
CID 82012097

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide (CID 82016801) is 5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide is Cc1cc(F)ccc1NC(=O)CCC(C)CN.
What is the InChIKey of 5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide?
The InChIKey is BJIXJVCDMKUPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(8-15)3-6-13(17)16-12-5-4-11(14)7-10(12)2/h4-5,7,9H,3,6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide?
5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide has a molecular weight of 238.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide is sourced from PubChem (CID 82016801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).