N-[2,4-bis(trifluoromethyl)phenyl]-2-bromoacetamide

C10H6BrF6NO — CID 22708279

IUPACN-[2,4-bis(trifluoromethyl)phenyl]-2-bromoacetamide
SMILESO=C(CBr)Nc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H6BrF6NO/c11-4-8(19)18-7-2-1-5(9(12,13)14)3-6(7)10(15,16)17/h1-3H,4H2,(H,18,19)
InChIKeyIHAXRGNVDIEZCM-UHFFFAOYSA-N
MW350.06 g/mol
LogP4.06
Rot. Bonds2

About N-[2,4-bis(trifluoromethyl)phenyl]-2-bromoacetamide

N-[2,4-bis(trifluoromethyl)phenyl]-2-bromoacetamide (PubChem CID 22708279) has the molecular formula C10H6BrF6NO and a molecular weight of 350.06 g/mol. Its IUPAC name is N-[2,4-bis(trifluoromethyl)phenyl]-2-bromoacetamide.

Molecular Properties

Compound NameN-[2,4-bis(trifluoromethyl)phenyl]-2-bromoacetamide
PubChem CID22708279
Molecular FormulaC10H6BrF6NO
Molecular Weight350.06 g/mol
Exact Mass348.95
IUPAC NameN-[2,4-bis(trifluoromethyl)phenyl]-2-bromoacetamide
SMILESO=C(CBr)Nc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H6BrF6NO/c11-4-8(19)18-7-2-1-5(9(12,13)14)3-6(7)10(15,16)17/h1-3H,4H2,(H,18,19)
InChIKeyIHAXRGNVDIEZCM-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.06
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-Acetyl-2,6-xylidine
CID 16616
N-(2,4-Dimethylphenyl)acetamide
CID 16303
N-[2-(trifluoromethyl)phenyl]acetamide
CID 67655
N-[4-(trifluoromethyl)phenyl]acetamide
CID 67685
3',5'-Bis(trifluoromethyl)acetanilide
CID 723600
Acetanilide, 2,2,2-trifluoro-3'-(trifluoromethyl)-
CID 101316
Acetanilide, 4'-ethyl-2,2,2-trifluoro-
CID 26767
2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3823803
Acetamide, N-(2,4,6-trimethylphenyl)-
CID 21170
Acetanilide, 2,2,2-trifluoro-2'-(trifluoromethyl)-
CID 200624
Acetanilide, 2,2,2-trifluoro-4'-(trifluoromethyl)-
CID 589514
N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide
CID 2736740

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(trifluoromethyl)phenyl]-2-bromoacetamide?
The IUPAC name of N-[2,4-bis(trifluoromethyl)phenyl]-2-bromoacetamide (CID 22708279) is N-[2,4-bis(trifluoromethyl)phenyl]-2-bromoacetamide.
What is the SMILES notation for N-[2,4-bis(trifluoromethyl)phenyl]-2-bromoacetamide?
The canonical SMILES for N-[2,4-bis(trifluoromethyl)phenyl]-2-bromoacetamide is O=C(CBr)Nc1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of N-[2,4-bis(trifluoromethyl)phenyl]-2-bromoacetamide?
The InChIKey is IHAXRGNVDIEZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF6NO/c11-4-8(19)18-7-2-1-5(9(12,13)14)3-6(7)10(15,16)17/h1-3H,4H2,(H,18,19).
What are the key properties of N-[2,4-bis(trifluoromethyl)phenyl]-2-bromoacetamide?
N-[2,4-bis(trifluoromethyl)phenyl]-2-bromoacetamide has a molecular weight of 350.06 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(trifluoromethyl)phenyl]-2-bromoacetamide is sourced from PubChem (CID 22708279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).