2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide

C10H8BrF5N2O — CID 79796967

IUPAC2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1c(F)cc(F)cc1Br)C(F)(F)F
InChIInChI=1S/C10H8BrF5N2O/c1-9(17,10(14,15)16)8(19)18-7-5(11)2-4(12)3-6(7)13/h2-3H,17H2,1H3,(H,18,19)
InChIKeyVOWLTZUEMPSRBA-UHFFFAOYSA-N
MW347.08 g/mol
LogP2.95
Rot. Bonds2

About 2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79796967) has the molecular formula C10H8BrF5N2O and a molecular weight of 347.08 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79796967
Molecular FormulaC10H8BrF5N2O
Molecular Weight347.08 g/mol
Exact Mass345.97
IUPAC Name2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1c(F)cc(F)cc1Br)C(F)(F)F
InChIInChI=1S/C10H8BrF5N2O/c1-9(17,10(14,15)16)8(19)18-7-5(11)2-4(12)3-6(7)13/h2-3H,17H2,1H3,(H,18,19)
InChIKeyVOWLTZUEMPSRBA-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.08
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide
CID 17068588
2-amino-N-(2-bromo-4,6-difluorophenyl)-2-ethylbutanamide
CID 79809416
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide
CID 107611878
N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547613
2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate
CID 43347868
2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide
CID 79811217
2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79790386
2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 107365572
N-(2-bromo-4,6-difluorophenyl)-3-(tert-butylamino)propanamide
CID 54928578
N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 114259830

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide (CID 79796967) is 2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)Nc1c(F)cc(F)cc1Br)C(F)(F)F.
What is the InChIKey of 2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is VOWLTZUEMPSRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF5N2O/c1-9(17,10(14,15)16)8(19)18-7-5(11)2-4(12)3-6(7)13/h2-3H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 347.08 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79796967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).