N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide

C12H16F2N2O — CID 65191559

IUPACN-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide
SMILESCC(C)C(CN)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2O/c1-7(2)11(6-15)16-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11H,6,15H2,1-2H3,(H,16,17)
InChIKeyHZUOKFUIXRGHOY-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.68
Rot. Bonds4

About N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide

N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide (PubChem CID 65191559) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide
PubChem CID65191559
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide
SMILESCC(C)C(CN)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2O/c1-7(2)11(6-15)16-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11H,6,15H2,1-2H3,(H,16,17)
InChIKeyHZUOKFUIXRGHOY-UHFFFAOYSA-N
XLogP1.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide (CID 65191559) is N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide is CC(C)C(CN)NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide?
The InChIKey is HZUOKFUIXRGHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-7(2)11(6-15)16-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11H,6,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide?
N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide has a molecular weight of 242.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide is sourced from PubChem (CID 65191559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).