N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide

C16H14FN3O — CID 9100025

IUPACN-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1F
InChIInChI=1S/C16H14FN3O/c1-11-5-6-13(8-15(11)17)19-10-16(21)20-14-4-2-3-12(7-14)9-18/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyZOMBSXSZPYYFPT-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.06
Rot. Bonds4

About N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide

N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide (PubChem CID 9100025) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
PubChem CID9100025
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1F
InChIInChI=1S/C16H14FN3O/c1-11-5-6-13(8-15(11)17)19-10-16(21)20-14-4-2-3-12(7-14)9-18/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyZOMBSXSZPYYFPT-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

2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
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 N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide (CID 9100025) is N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide is Cc1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1F.
What is the InChIKey of N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide?
The InChIKey is ZOMBSXSZPYYFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11-5-6-13(8-15(11)17)19-10-16(21)20-14-4-2-3-12(7-14)9-18/h2-8,19H,10H2,1H3,(H,20,21).
What are the key properties of N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide?
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)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 N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide is sourced from PubChem (CID 9100025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).