N-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide

C17H15FN2O — CID 62551789

IUPACN-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(F)c(C#N)c2)cc1C
InChIInChI=1S/C17H15FN2O/c1-11-3-4-13(7-12(11)2)8-17(21)20-15-5-6-16(18)14(9-15)10-19/h3-7,9H,8H2,1-2H3,(H,20,21)
InChIKeyYGBPHQMBEDNBFO-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.50
Rot. Bonds3

About N-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide

N-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 62551789) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID62551789
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC NameN-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(F)c(C#N)c2)cc1C
InChIInChI=1S/C17H15FN2O/c1-11-3-4-13(7-12(11)2)8-17(21)20-15-5-6-16(18)14(9-15)10-19/h3-7,9H,8H2,1-2H3,(H,20,21)
InChIKeyYGBPHQMBEDNBFO-UHFFFAOYSA-N
XLogP3.50
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316311
N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 62315790
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
5-[(3,4-dimethylphenyl)methylamino]-2-fluorobenzonitrile
CID 55057627
2-(3,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 2664751
N-(3-cyano-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 55057780
2-anilino-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316865
N-(3-amino-4-methylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 62057767
N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide
CID 62315615
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile
CID 55057726

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide (CID 62551789) is N-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(F)c(C#N)c2)cc1C.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is YGBPHQMBEDNBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11-3-4-13(7-12(11)2)8-17(21)20-15-5-6-16(18)14(9-15)10-19/h3-7,9H,8H2,1-2H3,(H,20,21).
What are the key properties of N-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide?
N-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 282.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 62551789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).