N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide

C9H7BrF3NO2 — CID 156877036

IUPACN-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCOc1cccc(Br)c1NC(=O)C(F)(F)F
InChIInChI=1S/C9H7BrF3NO2/c1-16-6-4-2-3-5(10)7(6)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyWFCGDLKWIOSORH-UHFFFAOYSA-N
MW298.06 g/mol
LogP2.96
Rot. Bonds2

About N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide

N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide (PubChem CID 156877036) has the molecular formula C9H7BrF3NO2 and a molecular weight of 298.06 g/mol. Its IUPAC name is N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide
PubChem CID156877036
Molecular FormulaC9H7BrF3NO2
Molecular Weight298.06 g/mol
Exact Mass296.96
IUPAC NameN-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCOc1cccc(Br)c1NC(=O)C(F)(F)F
InChIInChI=1S/C9H7BrF3NO2/c1-16-6-4-2-3-5(10)7(6)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKeyWFCGDLKWIOSORH-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.06
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 166517759
2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933413
N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide
CID 63374766
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933228
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide
CID 122140386
2-amino-N-(2,6-dimethoxyphenyl)ethanethioamide;2,2,2-trifluoroacetic acid
CID 135341197
2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934768
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
1-tert-butyl-3-(2,6-dimethoxyphenyl)urea
CID 108867821
2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387957

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide (CID 156877036) is N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide is COc1cccc(Br)c1NC(=O)C(F)(F)F.
What is the InChIKey of N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is WFCGDLKWIOSORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3NO2/c1-16-6-4-2-3-5(10)7(6)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15).
What are the key properties of N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide?
N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 298.06 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 156877036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).