N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide

C12H13BrF3NO2 — CID 103708561

IUPACN-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13BrF3NO2/c1-11(2,19-3)10(18)17-9-5-7(12(14,15)16)4-8(13)6-9/h4-6H,1-3H3,(H,17,18)
InChIKeyOVNCCTHYOYVLKW-UHFFFAOYSA-N
MW340.14 g/mol
LogP3.83
Rot. Bonds3

About N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide

N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide (PubChem CID 103708561) has the molecular formula C12H13BrF3NO2 and a molecular weight of 340.14 g/mol. Its IUPAC name is N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
PubChem CID103708561
Molecular FormulaC12H13BrF3NO2
Molecular Weight340.14 g/mol
Exact Mass339.01
IUPAC NameN-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13BrF3NO2/c1-11(2,19-3)10(18)17-9-5-7(12(14,15)16)4-8(13)6-9/h4-6H,1-3H3,(H,17,18)
InChIKeyOVNCCTHYOYVLKW-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 103430139
N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide
CID 104938678
methyl 2-[3-bromo-5-(trifluoromethyl)anilino]acetate
CID 65489624
2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 18709942
2-[[3-bromo-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylpropanoic acid
CID 65489251
2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide
CID 65490818
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 65490995
3-[3-bromo-5-(trifluoromethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898660
2-methoxy-2-methyl-N-(2,4,6-tribromophenyl)propanamide
CID 103028807
1-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylthiourea
CID 115662372
N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide
CID 65490452
2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide
CID 65490224

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide (CID 103708561) is N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide?
The InChIKey is OVNCCTHYOYVLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO2/c1-11(2,19-3)10(18)17-9-5-7(12(14,15)16)4-8(13)6-9/h4-6H,1-3H3,(H,17,18).
What are the key properties of N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide?
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide has a molecular weight of 340.14 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103708561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).