3-cyano-N-(4-fluorophenyl)-2-methylpropanamide

C11H11FN2O — CID 82112843

IUPAC3-cyano-N-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(CC#N)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-8(6-7-13)11(15)14-10-4-2-9(12)3-5-10/h2-5,8H,6H2,1H3,(H,14,15)
InChIKeyXAJBAOCVNHNKJX-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.31
Rot. Bonds3

About 3-cyano-N-(4-fluorophenyl)-2-methylpropanamide

3-cyano-N-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 82112843) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-cyano-N-(4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-cyano-N-(4-fluorophenyl)-2-methylpropanamide
PubChem CID82112843
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name3-cyano-N-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(CC#N)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-8(6-7-13)11(15)14-10-4-2-9(12)3-5-10/h2-5,8H,6H2,1H3,(H,14,15)
InChIKeyXAJBAOCVNHNKJX-UHFFFAOYSA-N
XLogP2.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide
CID 82118259
3-cyano-2-methyl-N-(4-methylphenyl)propanamide
CID 82112482
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)urea
CID 62089411
2-cyano-N-(4-fluorophenyl)-3-oxopentanamide
CID 54427068
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
(2S)-2-cyano-N-(4-ethylphenyl)-3-(4-fluorophenyl)-3-oxopropanamide
CID 98450272
2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255
3-(4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 67508161
N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide
CID 42926088
N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide
CID 82181674
ethyl 3-(4-fluoroanilino)-2-methyl-3-oxopropanoate
CID 67507786

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 3-cyano-N-(4-fluorophenyl)-2-methylpropanamide (CID 82112843) is 3-cyano-N-(4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 3-cyano-N-(4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 3-cyano-N-(4-fluorophenyl)-2-methylpropanamide is CC(CC#N)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-cyano-N-(4-fluorophenyl)-2-methylpropanamide?
The InChIKey is XAJBAOCVNHNKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-8(6-7-13)11(15)14-10-4-2-9(12)3-5-10/h2-5,8H,6H2,1H3,(H,14,15).
What are the key properties of 3-cyano-N-(4-fluorophenyl)-2-methylpropanamide?
3-cyano-N-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 206.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 82112843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).