2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide

C14H20BrFN2O — CID 107599421

IUPAC2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1c(F)cccc1Br
InChIInChI=1S/C14H20BrFN2O/c1-5-14(3,4)18-13(19)9(2)17-12-10(15)7-6-8-11(12)16/h6-9,17H,5H2,1-4H3,(H,18,19)
InChIKeyFFKFBQMJTHSFIC-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.69
Rot. Bonds5

About 2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide

2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 107599421) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is 2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide
PubChem CID107599421
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1c(F)cccc1Br
InChIInChI=1S/C14H20BrFN2O/c1-5-14(3,4)18-13(19)9(2)17-12-10(15)7-6-8-11(12)16/h6-9,17H,5H2,1-4H3,(H,18,19)
InChIKeyFFKFBQMJTHSFIC-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide (CID 107599421) is 2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Nc1c(F)cccc1Br.
What is the InChIKey of 2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is FFKFBQMJTHSFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-5-14(3,4)18-13(19)9(2)17-12-10(15)7-6-8-11(12)16/h6-9,17H,5H2,1-4H3,(H,18,19).
What are the key properties of 2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide?
2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 331.23 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluoroanilino)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 107599421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).