N-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide

C10H6BrF3N2O2 — CID 168521148

IUPACN-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(F)c(Br)c1OC(F)F
InChIInChI=1S/C10H6BrF3N2O2/c11-8-5(12)1-2-6(9(8)18-10(13)14)16-7(17)3-4-15/h1-2,10H,3H2,(H,16,17)
InChIKeyDOGFVIQYKKMSFH-UHFFFAOYSA-N
MW323.07 g/mol
LogP3.04
Rot. Bonds4

About N-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide

N-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide (PubChem CID 168521148) has the molecular formula C10H6BrF3N2O2 and a molecular weight of 323.07 g/mol. Its IUPAC name is N-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide
PubChem CID168521148
Molecular FormulaC10H6BrF3N2O2
Molecular Weight323.07 g/mol
Exact Mass321.96
IUPAC NameN-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(F)c(Br)c1OC(F)F
InChIInChI=1S/C10H6BrF3N2O2/c11-8-5(12)1-2-6(9(8)18-10(13)14)16-7(17)3-4-15/h1-2,10H,3H2,(H,16,17)
InChIKeyDOGFVIQYKKMSFH-UHFFFAOYSA-N
XLogP3.04
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.07
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-bromo-4-(difluoromethoxy)-2-fluorophenyl]-2-cyanoacetamide
CID 168524155
N-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide
CID 168522520
2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide
CID 168520371
N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide
CID 43438521
2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide
CID 168520551
4-[(2-cyanoacetyl)amino]-3-fluorobenzoic acid
CID 168520110
N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
CID 81270486
N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
CID 83317310
N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide
CID 104778645
2-cyano-N-(2,4-dichlorophenyl)acetamide
CID 693146
N-(4-bromo-2-cyano-5-fluorophenyl)-2-cyanoacetamide
CID 168523196
2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide
CID 168523936

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide?
The IUPAC name of N-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide (CID 168521148) is N-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide.
What is the SMILES notation for N-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide?
The canonical SMILES for N-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide is N#CCC(=O)Nc1ccc(F)c(Br)c1OC(F)F.
What is the InChIKey of N-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide?
The InChIKey is DOGFVIQYKKMSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O2/c11-8-5(12)1-2-6(9(8)18-10(13)14)16-7(17)3-4-15/h1-2,10H,3H2,(H,16,17).
What are the key properties of N-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide?
N-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide has a molecular weight of 323.07 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide is sourced from PubChem (CID 168521148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).