2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide

C17H13F2N3O2 — CID 113181733

IUPAC2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H13F2N3O2/c1-11(23)22(14-6-7-15(18)16(19)8-14)10-17(24)21-13-4-2-12(9-20)3-5-13/h2-8H,10H2,1H3,(H,21,24)
InChIKeyWSIWVTKFWOYRJP-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.83
Rot. Bonds4

About 2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide

2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide (PubChem CID 113181733) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide
PubChem CID113181733
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H13F2N3O2/c1-11(23)22(14-6-7-15(18)16(19)8-14)10-17(24)21-13-4-2-12(9-20)3-5-13/h2-8H,10H2,1H3,(H,21,24)
InChIKeyWSIWVTKFWOYRJP-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

N-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide
CID 112843076
2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide
CID 113181652
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide
CID 113175364
2-(N-acetyl-4-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113181129
2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113181116
2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113181670
methyl 3-[acetyl-[2-(4-cyanoanilino)-2-oxoethyl]amino]benzoate
CID 113176339
N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
CID 60977237
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide
CID 113135117
2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113180933
2-(N-acetyl-4-phenylmethoxyanilino)-N-(4-cyanophenyl)acetamide
CID 113177559

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide (CID 113181733) is 2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide?
The InChIKey is WSIWVTKFWOYRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c1-11(23)22(14-6-7-15(18)16(19)8-14)10-17(24)21-13-4-2-12(9-20)3-5-13/h2-8H,10H2,1H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide?
2-(N-acetyl-3,4-difluoroanilino)-N-(4-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-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 113181733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).