N-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide

C11H11FN2O — CID 82112840

IUPACN-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)C(C#N)c1ccccc1F
InChIInChI=1S/C11H11FN2O/c1-8(15)14(2)11(7-13)9-5-3-4-6-10(9)12/h3-6,11H,1-2H3
InChIKeyWXTVVRDTCZOHOP-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.87
Rot. Bonds2

About N-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide

N-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 82112840) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is N-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID82112840
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC NameN-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)C(C#N)c1ccccc1F
InChIInChI=1S/C11H11FN2O/c1-8(15)14(2)11(7-13)9-5-3-4-6-10(9)12/h3-6,11H,1-2H3
InChIKeyWXTVVRDTCZOHOP-UHFFFAOYSA-N
XLogP1.87
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano-(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 82118903
N-[cyano-(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 82118902
N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide
CID 82123298
2-(2-fluorophenyl)-2-(N-methylsulfanylanilino)acetonitrile
CID 87813141
N-[cyano-(3-methoxyphenyl)methyl]-N-methylacetamide
CID 82114025
2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63701401
3-(2-fluorophenyl)butan-2-one
CID 66436572
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
4-ethyl-2-(2-fluorophenyl)-3-oxohexanenitrile
CID 54977853
2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 114291471
2-fluoro-2-(2-fluorophenyl)acetonitrile
CID 53400325
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide (CID 82112840) is N-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide is CC(=O)N(C)C(C#N)c1ccccc1F.
What is the InChIKey of N-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is WXTVVRDTCZOHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-8(15)14(2)11(7-13)9-5-3-4-6-10(9)12/h3-6,11H,1-2H3.
What are the key properties of N-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide?
N-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 206.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 82112840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).