2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide

C16H14FN3O — CID 9101406

IUPAC2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2cccc(C#N)c2)cc1F
InChIInChI=1S/C16H14FN3O/c1-11-5-6-14(8-15(11)17)20-16(21)10-19-13-4-2-3-12(7-13)9-18/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyLJVKOLMWANDEKE-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.06
Rot. Bonds4

About 2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide

2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 9101406) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID9101406
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2cccc(C#N)c2)cc1F
InChIInChI=1S/C16H14FN3O/c1-11-5-6-14(8-15(11)17)20-16(21)10-19-13-4-2-3-12(7-13)9-18/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyLJVKOLMWANDEKE-UHFFFAOYSA-N
XLogP3.06
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025
2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9099428
2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 26438593
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
CID 9101293
N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 9106150
N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011066
N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide
CID 37229754
N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide
CID 51183160
N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide
CID 8933282
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide
CID 7922867
2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide
CID 32996968

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide (CID 9101406) is 2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNc2cccc(C#N)c2)cc1F.
What is the InChIKey of 2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is LJVKOLMWANDEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11-5-6-14(8-15(11)17)20-16(21)10-19-13-4-2-3-12(7-13)9-18/h2-8,19H,10H2,1H3,(H,20,21).
What are the key properties of 2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide?
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 283.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 9101406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).