2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide

C11H12FN3O — CID 43657341

IUPAC2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(C#N)cc1F
InChIInChI=1S/C11H12FN3O/c1-14-11(16)7-15(2)10-4-3-8(6-13)5-9(10)12/h3-5H,7H2,1-2H3,(H,14,16)
InChIKeyFMRLDMRINQQRLN-UHFFFAOYSA-N
MW221.23 g/mol
LogP0.88
Rot. Bonds3

About 2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide

2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide (PubChem CID 43657341) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide
PubChem CID43657341
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(C#N)cc1F
InChIInChI=1S/C11H12FN3O/c1-14-11(16)7-15(2)10-4-3-8(6-13)5-9(10)12/h3-5H,7H2,1-2H3,(H,14,16)
InChIKeyFMRLDMRINQQRLN-UHFFFAOYSA-N
XLogP0.88
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-2-fluoro-N-methylanilino)-N-propan-2-ylacetamide
CID 55005001
2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide
CID 43518183
2-(4-cyano-2-fluoro-N-methylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 133339045
3-fluoro-4-[2-hydroxypropyl(methyl)amino]benzonitrile
CID 62332966
2-[4-[(tert-butylamino)methyl]-2-fluoro-N-methylanilino]-N-methylacetamide
CID 63059492
N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]thiazin-9-yl)-2-(4-cyano-2-fluoro-N-methylanilino)acetamide
CID 166269588
3-fluoro-4-[methyl(2-methylsulfanylethyl)amino]benzonitrile
CID 112698470
2-(2-bromo-4-cyano-N-propylanilino)-N-methylacetamide
CID 82797275
3-fluoro-4-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 43657358
2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide
CID 43577880
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434
3-fluoro-4-[methyl(piperidin-4-ylmethyl)amino]benzonitrile
CID 79719509

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide?
The IUPAC name of 2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide (CID 43657341) is 2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide?
The canonical SMILES for 2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide is CNC(=O)CN(C)c1ccc(C#N)cc1F.
What is the InChIKey of 2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide?
The InChIKey is FMRLDMRINQQRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-14-11(16)7-15(2)10-4-3-8(6-13)5-9(10)12/h3-5H,7H2,1-2H3,(H,14,16).
What are the key properties of 2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide?
2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide has a molecular weight of 221.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide is sourced from PubChem (CID 43657341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).