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

C11H12BrF3N2O2 — CID 79811706

IUPAC2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1Br
InChIInChI=1S/C11H12BrF3N2O2/c1-10(16,11(13,14)15)9(18)17-6-3-4-8(19-2)7(12)5-6/h3-5H,16H2,1-2H3,(H,17,18)
InChIKeyJOBIAPIKJDQEIJ-UHFFFAOYSA-N
MW341.13 g/mol
LogP2.68
Rot. Bonds3

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

2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79811706) has the molecular formula C11H12BrF3N2O2 and a molecular weight of 341.13 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79811706
Molecular FormulaC11H12BrF3N2O2
Molecular Weight341.13 g/mol
Exact Mass340.00
IUPAC Name2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1Br
InChIInChI=1S/C11H12BrF3N2O2/c1-10(16,11(13,14)15)9(18)17-6-3-4-8(19-2)7(12)5-6/h3-5H,16H2,1-2H3,(H,17,18)
InChIKeyJOBIAPIKJDQEIJ-UHFFFAOYSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.13
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide
CID 79797113
N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 103430147
2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide
CID 79813242
2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
CID 79788488
N-(3-bromo-4-methoxyphenyl)carbamoyl chloride
CID 115194346
1-N-(3-bromo-4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 115135624
2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-2-methylpropanamide
CID 119286134
O-methyl 2-(3-bromo-4-methoxyanilino)-2-oxoethanethioate
CID 139546924
N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
CID 79790594
4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide
CID 107336495
2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 114327553
N-(3-bromo-4-methoxyphenyl)-1-cyanoformamide
CID 115171833

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide (CID 79811706) is 2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide is COc1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1Br.
What is the InChIKey of 2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is JOBIAPIKJDQEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2O2/c1-10(16,11(13,14)15)9(18)17-6-3-4-8(19-2)7(12)5-6/h3-5H,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 341.13 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79811706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).