N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide

C11H10BrF3N2O2 — CID 170906918

IUPACN-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(Br)c(C(F)(F)F)cc1NC(C)=O
InChIInChI=1S/C11H10BrF3N2O2/c1-5(18)16-9-3-7(11(13,14)15)8(12)4-10(9)17-6(2)19/h3-4H,1-2H3,(H,16,18)(H,17,19)
InChIKeyXSSLSZVJBIJWQC-UHFFFAOYSA-N
MW339.11 g/mol
LogP3.38
Rot. Bonds2

About N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide

N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 170906918) has the molecular formula C11H10BrF3N2O2 and a molecular weight of 339.11 g/mol. Its IUPAC name is N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide
PubChem CID170906918
Molecular FormulaC11H10BrF3N2O2
Molecular Weight339.11 g/mol
Exact Mass337.99
IUPAC NameN-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(Br)c(C(F)(F)F)cc1NC(C)=O
InChIInChI=1S/C11H10BrF3N2O2/c1-5(18)16-9-3-7(11(13,14)15)8(12)4-10(9)17-6(2)19/h3-4H,1-2H3,(H,16,18)(H,17,19)
InChIKeyXSSLSZVJBIJWQC-UHFFFAOYSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,5-dibromo-4-(trifluoromethyl)phenyl]ethanone
CID 171005665
N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide
CID 23275300
tert-butyl N-[4-bromo-2-fluoro-5-(trifluoromethyl)phenyl]carbamate
CID 91756947
1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 131353927
N-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 162421308
N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide
CID 14148742
N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide
CID 154143738
5-bromo-2,4-bis(trifluoromethyl)benzamide
CID 134640615
5-bromo-2-methyl-4-(trifluoromethyl)benzoyl chloride
CID 171009025
methyl 4-bromo-2,5-bis(trifluoromethyl)benzoate
CID 18925692
4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
CID 2579701
2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid
CID 154136746

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide (CID 170906918) is N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(Br)c(C(F)(F)F)cc1NC(C)=O.
What is the InChIKey of N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XSSLSZVJBIJWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O2/c1-5(18)16-9-3-7(11(13,14)15)8(12)4-10(9)17-6(2)19/h3-4H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide?
N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 339.11 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 170906918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).