4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide

C15H9F3N2O2 — CID 953070

IUPAC4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccccc2OC(F)F)c(F)c1
InChIInChI=1S/C15H9F3N2O2/c16-11-7-9(8-19)5-6-10(11)14(21)20-12-3-1-2-4-13(12)22-15(17)18/h1-7,15H,(H,20,21)
InChIKeyFDUYZGCXMCHNFV-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.55
Rot. Bonds4

About 4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide

4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide (PubChem CID 953070) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide
PubChem CID953070
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccccc2OC(F)F)c(F)c1
InChIInChI=1S/C15H9F3N2O2/c16-11-7-9(8-19)5-6-10(11)14(21)20-12-3-1-2-4-13(12)22-15(17)18/h1-7,15H,(H,20,21)
InChIKeyFDUYZGCXMCHNFV-UHFFFAOYSA-N
XLogP3.55
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide?
The IUPAC name of 4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide (CID 953070) is 4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide?
The canonical SMILES for 4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide is N#Cc1ccc(C(=O)Nc2ccccc2OC(F)F)c(F)c1.
What is the InChIKey of 4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide?
The InChIKey is FDUYZGCXMCHNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-11-7-9(8-19)5-6-10(11)14(21)20-12-3-1-2-4-13(12)22-15(17)18/h1-7,15H,(H,20,21).
What are the key properties of 4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide?
4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide has a molecular weight of 306.24 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 953070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).