N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide

C10H9BrF3NO2 — CID 63374766

IUPACN-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESCOCc1c(Br)cccc1NC(=O)C(F)(F)F
InChIInChI=1S/C10H9BrF3NO2/c1-17-5-6-7(11)3-2-4-8(6)15-9(16)10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyJQYLUMSYIVYWLX-UHFFFAOYSA-N
MW312.09 g/mol
LogP3.10
Rot. Bonds3

About N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide

N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 63374766) has the molecular formula C10H9BrF3NO2 and a molecular weight of 312.09 g/mol. Its IUPAC name is N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID63374766
Molecular FormulaC10H9BrF3NO2
Molecular Weight312.09 g/mol
Exact Mass310.98
IUPAC NameN-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESCOCc1c(Br)cccc1NC(=O)C(F)(F)F
InChIInChI=1S/C10H9BrF3NO2/c1-17-5-6-7(11)3-2-4-8(6)15-9(16)10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyJQYLUMSYIVYWLX-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62836118
N-[3-bromo-2-(methoxymethyl)phenyl]-3-oxobutanamide
CID 61215647
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide
CID 81089050
N-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide
CID 61400591
(2R)-2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methylpentanamide
CID 104903215
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]butanediamide
CID 61167372
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide
CID 62473419
N-[3-bromo-2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 60616505
methyl 2-[3-bromo-2-(methoxymethyl)anilino]butanoate
CID 113292588
3-[3-bromo-2-(methoxymethyl)phenyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 60616564
6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 66463924
1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide
CID 83086055

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide (CID 63374766) is N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide is COCc1c(Br)cccc1NC(=O)C(F)(F)F.
What is the InChIKey of N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is JQYLUMSYIVYWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO2/c1-17-5-6-7(11)3-2-4-8(6)15-9(16)10(12,13)14/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide?
N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 312.09 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 63374766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).