3-cyano-N-(3-fluorophenyl)-N-methylpropanamide

C11H11FN2O — CID 115173707

IUPAC3-cyano-N-(3-fluorophenyl)-N-methylpropanamide
SMILESCN(C(=O)CCC#N)c1cccc(F)c1
InChIInChI=1S/C11H11FN2O/c1-14(11(15)6-3-7-13)10-5-2-4-9(12)8-10/h2,4-5,8H,3,6H2,1H3
InChIKeyFVTGCYOTFFIVDL-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.09
Rot. Bonds3

About 3-cyano-N-(3-fluorophenyl)-N-methylpropanamide

3-cyano-N-(3-fluorophenyl)-N-methylpropanamide (PubChem CID 115173707) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-cyano-N-(3-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-cyano-N-(3-fluorophenyl)-N-methylpropanamide
PubChem CID115173707
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name3-cyano-N-(3-fluorophenyl)-N-methylpropanamide
SMILESCN(C(=O)CCC#N)c1cccc(F)c1
InChIInChI=1S/C11H11FN2O/c1-14(11(15)6-3-7-13)10-5-2-4-9(12)8-10/h2,4-5,8H,3,6H2,1H3
InChIKeyFVTGCYOTFFIVDL-UHFFFAOYSA-N
XLogP2.09
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide
CID 113270323
3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide
CID 113132424
1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea
CID 116655437
3-cyano-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 115173703
3-cyano-N-(4-ethylsulfanylphenyl)-N-methylpropanamide
CID 115173680
3-cyano-N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
CID 115173643
3-cyano-N-(3-fluorophenyl)propanamide
CID 82111905
N-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylacetamide
CID 71916629
N,N-bis(2-cyanoethyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86911190
N-(4-fluorophenyl)-N-methylpent-4-ynamide
CID 86086919
1-(3-fluoro-N-methylanilino)butan-2-one
CID 62038249
N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide
CID 107027780

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3-fluorophenyl)-N-methylpropanamide?
The IUPAC name of 3-cyano-N-(3-fluorophenyl)-N-methylpropanamide (CID 115173707) is 3-cyano-N-(3-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for 3-cyano-N-(3-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for 3-cyano-N-(3-fluorophenyl)-N-methylpropanamide is CN(C(=O)CCC#N)c1cccc(F)c1.
What is the InChIKey of 3-cyano-N-(3-fluorophenyl)-N-methylpropanamide?
The InChIKey is FVTGCYOTFFIVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-14(11(15)6-3-7-13)10-5-2-4-9(12)8-10/h2,4-5,8H,3,6H2,1H3.
What are the key properties of 3-cyano-N-(3-fluorophenyl)-N-methylpropanamide?
3-cyano-N-(3-fluorophenyl)-N-methylpropanamide has a molecular weight of 206.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 115173707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).