N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide

C16H13FN2O — CID 47475886

IUPACN-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide
SMILESCc1ccc(C#N)cc1NC(=O)Cc1ccccc1F
InChIInChI=1S/C16H13FN2O/c1-11-6-7-12(10-18)8-15(11)19-16(20)9-13-4-2-3-5-14(13)17/h2-8H,9H2,1H3,(H,19,20)
InChIKeyGSJASCJNJORGBK-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.19
Rot. Bonds3

About N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide

N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide (PubChem CID 47475886) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide
PubChem CID47475886
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC NameN-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide
SMILESCc1ccc(C#N)cc1NC(=O)Cc1ccccc1F
InChIInChI=1S/C16H13FN2O/c1-11-6-7-12(10-18)8-15(11)19-16(20)9-13-4-2-3-5-14(13)17/h2-8H,9H2,1H3,(H,19,20)
InChIKeyGSJASCJNJORGBK-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-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797664
1-(2-chlorophenyl)-3-(5-cyano-2-methylphenyl)urea
CID 62105247
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953
2-[(5-cyano-2-methylanilino)methyl]benzamide
CID 62103575
N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 71980635
4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
CID 54934414
N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602590
N-(5-cyano-2-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107027948
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
2-(2-fluorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4798645

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide (CID 47475886) is N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide is Cc1ccc(C#N)cc1NC(=O)Cc1ccccc1F.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide?
The InChIKey is GSJASCJNJORGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-11-6-7-12(10-18)8-15(11)19-16(20)9-13-4-2-3-5-14(13)17/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide?
N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)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-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 47475886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).