N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide

C10H6BrF3N2O — CID 64854761

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H6BrF3N2O/c11-8-2-1-6(16-9(17)3-4-15)5-7(8)10(12,13)14/h1-2,5H,3H2,(H,16,17)
InChIKeyAVIBFMPISZBXCN-UHFFFAOYSA-N
MW307.07 g/mol
LogP3.32
Rot. Bonds2

About N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide (PubChem CID 64854761) has the molecular formula C10H6BrF3N2O and a molecular weight of 307.07 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide
PubChem CID64854761
Molecular FormulaC10H6BrF3N2O
Molecular Weight307.07 g/mol
Exact Mass305.96
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H6BrF3N2O/c11-8-2-1-6(16-9(17)3-4-15)5-7(8)10(12,13)14/h1-2,5H,3H2,(H,16,17)
InChIKeyAVIBFMPISZBXCN-UHFFFAOYSA-N
XLogP3.32
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.07
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide
CID 104778645
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide
CID 9104278
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 7920389
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957929
5-[4-bromo-3-(trifluoromethyl)anilino]-5-oxopentanoic acid
CID 60699581
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide
CID 7922867
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]-2-cyanoacetamide
CID 168520302
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107031027
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 79809856
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 13411359

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide (CID 64854761) is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide is N#CCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide?
The InChIKey is AVIBFMPISZBXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O/c11-8-2-1-6(16-9(17)3-4-15)5-7(8)10(12,13)14/h1-2,5H,3H2,(H,16,17).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide has a molecular weight of 307.07 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide is sourced from PubChem (CID 64854761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).