N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide

C13H17BrF2N2O — CID 54928578

IUPACN-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H17BrF2N2O/c1-13(2,3)17-5-4-11(19)18-12-9(14)6-8(15)7-10(12)16/h6-7,17H,4-5H2,1-3H3,(H,18,19)
InChIKeyUPJRDCUUKUPKIY-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.44
Rot. Bonds4

About N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide

N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide (PubChem CID 54928578) has the molecular formula C13H17BrF2N2O and a molecular weight of 335.19 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide
PubChem CID54928578
Molecular FormulaC13H17BrF2N2O
Molecular Weight335.19 g/mol
Exact Mass334.05
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H17BrF2N2O/c1-13(2,3)17-5-4-11(19)18-12-9(14)6-8(15)7-10(12)16/h6-7,17H,4-5H2,1-3H3,(H,18,19)
InChIKeyUPJRDCUUKUPKIY-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 115564477
N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide
CID 54928480
N-(5-bromo-2-fluorophenyl)-3-(tert-butylamino)propanamide
CID 60850786
1-(2-bromo-4,6-difluorophenyl)-3-butylurea
CID 113218580
2-amino-N-(2-bromo-4,6-difluorophenyl)-2-ethylbutanamide
CID 79809416
N-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 112722692
2-anilino-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 60703391
N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide
CID 17068588
N-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 111519510
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79796967
3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide
CID 60851334

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide (CID 54928578) is N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide is CC(C)(C)NCCC(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide?
The InChIKey is UPJRDCUUKUPKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF2N2O/c1-13(2,3)17-5-4-11(19)18-12-9(14)6-8(15)7-10(12)16/h6-7,17H,4-5H2,1-3H3,(H,18,19).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide?
N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide has a molecular weight of 335.19 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide is sourced from PubChem (CID 54928578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).