2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide

C17H12F3N3O2 — CID 113181013

IUPAC2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(C#N)c1
InChIInChI=1S/C17H12F3N3O2/c1-10(24)23(12-4-2-3-11(7-12)8-21)9-15(25)22-14-6-5-13(18)16(19)17(14)20/h2-7H,9H2,1H3,(H,22,25)
InChIKeyARMKKZXMDUDHHF-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.97
Rot. Bonds4

About 2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide

2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 113181013) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID113181013
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(C#N)c1
InChIInChI=1S/C17H12F3N3O2/c1-10(24)23(12-4-2-3-11(7-12)8-21)9-15(25)22-14-6-5-13(18)16(19)17(14)20/h2-7H,9H2,1H3,(H,22,25)
InChIKeyARMKKZXMDUDHHF-UHFFFAOYSA-N
XLogP2.97
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113177755
2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 113180958
2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide
CID 113180930
2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113179533
2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113180955
2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113180933
2-(N-acetyl-3-cyanoanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113180919
2-(N-acetyl-3-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113177751
2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide
CID 113181733
2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113169007
3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 113131062
2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113180931

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide (CID 113181013) is 2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(C#N)c1.
What is the InChIKey of 2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is ARMKKZXMDUDHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c1-10(24)23(12-4-2-3-11(7-12)8-21)9-15(25)22-14-6-5-13(18)16(19)17(14)20/h2-7H,9H2,1H3,(H,22,25).
What are the key properties of 2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide?
2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 347.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 113181013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).