2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide

C16H13FN2O — CID 62876848

IUPAC2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide
SMILESCc1c(F)cccc1NC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C16H13FN2O/c1-11-14(17)8-5-9-15(11)19-16(20)13(10-18)12-6-3-2-4-7-12/h2-9,13H,1H3,(H,19,20)
InChIKeyJCSDLAUNHPQKRN-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.38
Rot. Bonds3

About 2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide

2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide (PubChem CID 62876848) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide
PubChem CID62876848
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide
SMILESCc1c(F)cccc1NC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C16H13FN2O/c1-11-14(17)8-5-9-15(11)19-16(20)13(10-18)12-6-3-2-4-7-12/h2-9,13H,1H3,(H,19,20)
InChIKeyJCSDLAUNHPQKRN-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide
CID 107625909
N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide
CID 62877359
2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide
CID 103515626
2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 62878418
4-(3-fluoro-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498147
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111521359
2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 62878043
2-[(3-fluoro-2-methylphenyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536988
2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide
CID 55128778
(2S)-2-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide
CID 104984259
N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide
CID 107574565
1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860121

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide?
The IUPAC name of 2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide (CID 62876848) is 2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide is Cc1c(F)cccc1NC(=O)C(C#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide?
The InChIKey is JCSDLAUNHPQKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-11-14(17)8-5-9-15(11)19-16(20)13(10-18)12-6-3-2-4-7-12/h2-9,13H,1H3,(H,19,20).
What are the key properties of 2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide?
2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide has a molecular weight of 268.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 62876848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).