N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide

C16H13FN2O — CID 79955008

IUPACN-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C16H13FN2O/c1-11-4-2-3-5-12(11)9-16(20)19-15-7-6-14(17)8-13(15)10-18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyPJYHATSDZKGIPF-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.19
Rot. Bonds3

About N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide

N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide (PubChem CID 79955008) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
PubChem CID79955008
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC NameN-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C16H13FN2O/c1-11-4-2-3-5-12(11)9-16(20)19-15-7-6-14(17)8-13(15)10-18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyPJYHATSDZKGIPF-UHFFFAOYSA-N
XLogP3.19
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 62315790
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682
N-(2-cyano-4-fluorophenyl)-3,3-dimethylbutanamide
CID 79953681
N-(2-cyano-4-fluorophenyl)-3-sulfanylpropanamide
CID 107033592
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)acetyl]amino]phenyl]acetamide
CID 26164464
ethyl 4-(2-cyano-4-fluoroanilino)-4-oxobutanoate
CID 79952676
N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide
CID 79954684
4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide
CID 82015813
5-fluoro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 82015763
N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide
CID 91662349
N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide
CID 82684893

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide (CID 79955008) is N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1ccc(F)cc1C#N.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide?
The InChIKey is PJYHATSDZKGIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-11-4-2-3-5-12(11)9-16(20)19-15-7-6-14(17)8-13(15)10-18/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide?
N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide has a molecular weight of 268.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 79955008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).