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

C15H9BrF2N2O2 — CID 168523728

IUPACN-[3-bromo-4-(2,4-difluorophenoxy)phenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(Br)c1
InChIInChI=1S/C15H9BrF2N2O2/c16-11-8-10(20-15(21)5-6-19)2-4-13(11)22-14-3-1-9(17)7-12(14)18/h1-4,7-8H,5H2,(H,20,21)
InChIKeyXZQRCMQTYGFJSW-UHFFFAOYSA-N
MW367.15 g/mol
LogP4.37
Rot. Bonds4

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

N-[3-bromo-4-(2,4-difluorophenoxy)phenyl]-2-cyanoacetamide (PubChem CID 168523728) has the molecular formula C15H9BrF2N2O2 and a molecular weight of 367.15 g/mol. Its IUPAC name is N-[3-bromo-4-(2,4-difluorophenoxy)phenyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[3-bromo-4-(2,4-difluorophenoxy)phenyl]-2-cyanoacetamide
PubChem CID168523728
Molecular FormulaC15H9BrF2N2O2
Molecular Weight367.15 g/mol
Exact Mass365.98
IUPAC NameN-[3-bromo-4-(2,4-difluorophenoxy)phenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(Br)c1
InChIInChI=1S/C15H9BrF2N2O2/c16-11-8-10(20-15(21)5-6-19)2-4-13(11)22-14-3-1-9(17)7-12(14)18/h1-4,7-8H,5H2,(H,20,21)
InChIKeyXZQRCMQTYGFJSW-UHFFFAOYSA-N
XLogP4.37
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide
CID 104778645
dimethyl (E)-2-[3-bromo-4-(2,4-difluorophenoxy)anilino]but-2-enedioate
CID 168567355
N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
CID 83317310
N-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide
CID 168522857
3-bromo-4-(2,4-difluorophenoxy)benzonitrile
CID 82798545
N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide
CID 108922462
2-cyano-N-(3-fluoro-4-methylphenyl)acetamide
CID 24693898
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide
CID 64854761
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide
CID 43232827
methyl 5-[(2-cyanoacetyl)amino]-2-fluorobenzoate
CID 168520431
2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 168523388

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(2,4-difluorophenoxy)phenyl]-2-cyanoacetamide?
The IUPAC name of N-[3-bromo-4-(2,4-difluorophenoxy)phenyl]-2-cyanoacetamide (CID 168523728) is N-[3-bromo-4-(2,4-difluorophenoxy)phenyl]-2-cyanoacetamide.
What is the SMILES notation for N-[3-bromo-4-(2,4-difluorophenoxy)phenyl]-2-cyanoacetamide?
The canonical SMILES for N-[3-bromo-4-(2,4-difluorophenoxy)phenyl]-2-cyanoacetamide is N#CCC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(Br)c1.
What is the InChIKey of N-[3-bromo-4-(2,4-difluorophenoxy)phenyl]-2-cyanoacetamide?
The InChIKey is XZQRCMQTYGFJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2N2O2/c16-11-8-10(20-15(21)5-6-19)2-4-13(11)22-14-3-1-9(17)7-12(14)18/h1-4,7-8H,5H2,(H,20,21).
What are the key properties of N-[3-bromo-4-(2,4-difluorophenoxy)phenyl]-2-cyanoacetamide?
N-[3-bromo-4-(2,4-difluorophenoxy)phenyl]-2-cyanoacetamide has a molecular weight of 367.15 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-(2,4-difluorophenoxy)phenyl]-2-cyanoacetamide is sourced from PubChem (CID 168523728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).