N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide

C16H13FN2O — CID 62315790

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

About N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide

N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide (PubChem CID 62315790) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
PubChem CID62315790
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC NameN-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C16H13FN2O/c1-11-4-2-3-5-12(11)9-16(20)19-14-6-7-15(17)13(8-14)10-18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyFTHUUPRZKKLLBB-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-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide
CID 62551789
2-anilino-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316865
2-(4-chlorophenyl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316311
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682
N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 79955008
2-(3-cyano-4-fluoroanilino)-N-phenylacetamide
CID 62317173
N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide
CID 62317531
2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 62318189
2-(2-cyanophenyl)-N-(4-methylphenyl)acetamide
CID 134694438
N-(3-cyano-4-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 62340831
N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide
CID 62315442
N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide
CID 62315615

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide (CID 62315790) is N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide?
The InChIKey is FTHUUPRZKKLLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-11-4-2-3-5-12(11)9-16(20)19-14-6-7-15(17)13(8-14)10-18/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide?
N-(3-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-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 62315790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).