N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide

C13H19FN2O — CID 65191269

IUPACN-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide
SMILESCCCC(CN)NC(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H19FN2O/c1-3-4-11(8-15)16-13(17)12-7-10(14)6-5-9(12)2/h5-7,11H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyXJPFOTAZJATZOY-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.99
Rot. Bonds5

About N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide

N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide (PubChem CID 65191269) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide
PubChem CID65191269
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide
SMILESCCCC(CN)NC(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H19FN2O/c1-3-4-11(8-15)16-13(17)12-7-10(14)6-5-9(12)2/h5-7,11H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyXJPFOTAZJATZOY-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide
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2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide (CID 65191269) is N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide is CCCC(CN)NC(=O)c1cc(F)ccc1C.
What is the InChIKey of N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide?
The InChIKey is XJPFOTAZJATZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-4-11(8-15)16-13(17)12-7-10(14)6-5-9(12)2/h5-7,11H,3-4,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide?
N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide has a molecular weight of 238.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 65191269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).