2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide

C17H13F2N3O2 — CID 113181547

IUPAC2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C#N)c1c(F)cccc1F
InChIInChI=1S/C17H13F2N3O2/c1-11(23)22(17-13(18)6-4-7-14(17)19)10-16(24)21-15-8-3-2-5-12(15)9-20/h2-8H,10H2,1H3,(H,21,24)
InChIKeyMMDKPZJGCQWKDJ-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.83
Rot. Bonds4

About 2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide

2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide (PubChem CID 113181547) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide
PubChem CID113181547
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C#N)c1c(F)cccc1F
InChIInChI=1S/C17H13F2N3O2/c1-11(23)22(17-13(18)6-4-7-14(17)19)10-16(24)21-15-8-3-2-5-12(15)9-20/h2-8H,10H2,1H3,(H,21,24)
InChIKeyMMDKPZJGCQWKDJ-UHFFFAOYSA-N
XLogP2.83
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-3-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113177751
2-(N-acetyl-4-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113171090
2-(N-acetyl-2,6-difluoroanilino)-N-(2-bromophenyl)acetamide
CID 113181523
2-(N-acetyl-4-chloroanilino)-N-(2-cyanophenyl)acetamide
CID 113171651
2-(N-acetyl-2,6-difluoroanilino)-N-(2-methoxyphenyl)acetamide
CID 113181493
2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide
CID 113169003
2-(N-acetyl-4-bromoanilino)-N-(2-cyanophenyl)acetamide
CID 113173018
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 113175092
2-(N-acetyl-3,4-dimethylanilino)-N-(2-cyanophenyl)acetamide
CID 113168421
3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide
CID 113126234
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
2-(N-acetyl-4-phenoxyanilino)-N-(2-cyanophenyl)acetamide
CID 113177507

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide (CID 113181547) is 2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccccc1C#N)c1c(F)cccc1F.
What is the InChIKey of 2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide?
The InChIKey is MMDKPZJGCQWKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c1-11(23)22(17-13(18)6-4-7-14(17)19)10-16(24)21-15-8-3-2-5-12(15)9-20/h2-8H,10H2,1H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide?
2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide has a molecular weight of 329.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 113181547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).