N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide

C10H8F2N2O2 — CID 103513721

IUPACN-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide
SMILESN#CCOc1ccccc1NC(=O)C(F)F
InChIInChI=1S/C10H8F2N2O2/c11-9(12)10(15)14-7-3-1-2-4-8(7)16-6-5-13/h1-4,9H,6H2,(H,14,15)
InChIKeyJIMWICHLPCJMTB-UHFFFAOYSA-N
MW226.18 g/mol
LogP1.79
Rot. Bonds4

About N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide

N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide (PubChem CID 103513721) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide
PubChem CID103513721
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC NameN-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide
SMILESN#CCOc1ccccc1NC(=O)C(F)F
InChIInChI=1S/C10H8F2N2O2/c11-9(12)10(15)14-7-3-1-2-4-8(7)16-6-5-13/h1-4,9H,6H2,(H,14,15)
InChIKeyJIMWICHLPCJMTB-UHFFFAOYSA-N
XLogP1.79
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyanomethoxy)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103208208
N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide
CID 43369387
1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea
CID 43437768
N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107014799
1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea
CID 43369639
N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide
CID 63832381
1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369636
N-[2-(cyanomethoxy)phenyl]furan-3-carboxamide
CID 43369380
3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
CID 43369330
5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 62958811
N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide
CID 65215145
2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide
CID 103513898

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide?
The IUPAC name of N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide (CID 103513721) is N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide is N#CCOc1ccccc1NC(=O)C(F)F.
What is the InChIKey of N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide?
The InChIKey is JIMWICHLPCJMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c11-9(12)10(15)14-7-3-1-2-4-8(7)16-6-5-13/h1-4,9H,6H2,(H,14,15).
What are the key properties of N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide?
N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide has a molecular weight of 226.18 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103513721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).