N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide

C13H19FN2O — CID 64551129

IUPACN-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide
SMILESCCC(C)(CN)NC(=O)c1cc(C)ccc1F
InChIInChI=1S/C13H19FN2O/c1-4-13(3,8-15)16-12(17)10-7-9(2)5-6-11(10)14/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyVYODOANYPIFRSE-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.99
Rot. Bonds4

About N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide

N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide (PubChem CID 64551129) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide
PubChem CID64551129
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide
SMILESCCC(C)(CN)NC(=O)c1cc(C)ccc1F
InChIInChI=1S/C13H19FN2O/c1-4-13(3,8-15)16-12(17)10-7-9(2)5-6-11(10)14/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyVYODOANYPIFRSE-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64557392
N-(2-cyanobutan-2-yl)-2-fluoro-5-methylbenzamide
CID 62514306
2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide
CID 115605934
2-fluoro-N-(3-methylpentan-3-yl)-5-sulfanylbenzamide
CID 114174609
2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 103895431
2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82724689
2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64556210
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 64549061
N-[3-(aminomethyl)pentan-3-yl]-2,5-difluorobenzamide
CID 63766299
N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide
CID 114345388
N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-fluorobenzamide;hydrochloride
CID 119570891

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide (CID 64551129) is N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide is CCC(C)(CN)NC(=O)c1cc(C)ccc1F.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide?
The InChIKey is VYODOANYPIFRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-13(3,8-15)16-12(17)10-7-9(2)5-6-11(10)14/h5-7H,4,8,15H2,1-3H3,(H,16,17).
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide?
N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide has a molecular weight of 238.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 64551129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).