N-(4-bromophenyl)-2-methoxy-N-(2,2,2-trifluoroethyl)acetamide

C11H11BrF3NO2 — CID 56792601

IUPACN-(4-bromophenyl)-2-methoxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCC(=O)N(CC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrF3NO2/c1-18-6-10(17)16(7-11(13,14)15)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3
InChIKeyNRZHMHSUSCJUII-UHFFFAOYSA-N
MW326.11 g/mol
LogP2.99
Rot. Bonds4

About N-(4-bromophenyl)-2-methoxy-N-(2,2,2-trifluoroethyl)acetamide

N-(4-bromophenyl)-2-methoxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 56792601) has the molecular formula C11H11BrF3NO2 and a molecular weight of 326.11 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-methoxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-methoxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID56792601
Molecular FormulaC11H11BrF3NO2
Molecular Weight326.11 g/mol
Exact Mass324.99
IUPAC NameN-(4-bromophenyl)-2-methoxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCC(=O)N(CC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrF3NO2/c1-18-6-10(17)16(7-11(13,14)15)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3
InChIKeyNRZHMHSUSCJUII-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-methoxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-methoxy-N-(2,2,2-trifluoroethyl)acetamide (CID 56792601) is N-(4-bromophenyl)-2-methoxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-methoxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-methoxy-N-(2,2,2-trifluoroethyl)acetamide is COCC(=O)N(CC(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-methoxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NRZHMHSUSCJUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO2/c1-18-6-10(17)16(7-11(13,14)15)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3.
What are the key properties of N-(4-bromophenyl)-2-methoxy-N-(2,2,2-trifluoroethyl)acetamide?
N-(4-bromophenyl)-2-methoxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 326.11 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-methoxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 56792601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).