N-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide

C13H19FN2O — CID 113485144

IUPACN-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C(C)CN)c1F
InChIInChI=1S/C13H19FN2O/c1-8-5-4-6-11(12(8)14)13(17)16-10(3)9(2)7-15/h4-6,9-10H,7,15H2,1-3H3,(H,16,17)
InChIKeyQWVFOUMPNIFFQX-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.85
Rot. Bonds4

About N-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide

N-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide (PubChem CID 113485144) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide
PubChem CID113485144
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C(C)CN)c1F
InChIInChI=1S/C13H19FN2O/c1-8-5-4-6-11(12(8)14)13(17)16-10(3)9(2)7-15/h4-6,9-10H,7,15H2,1-3H3,(H,16,17)
InChIKeyQWVFOUMPNIFFQX-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide (CID 113485144) is N-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NC(C)C(C)CN)c1F.
What is the InChIKey of N-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide?
The InChIKey is QWVFOUMPNIFFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-8-5-4-6-11(12(8)14)13(17)16-10(3)9(2)7-15/h4-6,9-10H,7,15H2,1-3H3,(H,16,17).
What are the key properties of N-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide?
N-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide has a molecular weight of 238.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 113485144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).