N-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide

C20H15F3N2O — CID 112990293

IUPACN-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc(Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H15F3N2O/c21-17-4-2-1-3-13(17)11-20(26)25-15-7-5-14(6-8-15)24-16-9-10-18(22)19(23)12-16/h1-10,12,24H,11H2,(H,25,26)
InChIKeyKFWKBKZSUKKZPO-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.03
Rot. Bonds5

About N-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide

N-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide (PubChem CID 112990293) has the molecular formula C20H15F3N2O and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide
PubChem CID112990293
Molecular FormulaC20H15F3N2O
Molecular Weight356.35 g/mol
Exact Mass356.11
IUPAC NameN-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc(Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H15F3N2O/c21-17-4-2-1-3-13(17)11-20(26)25-15-7-5-14(6-8-15)24-16-9-10-18(22)19(23)12-16/h1-10,12,24H,11H2,(H,25,26)
InChIKeyKFWKBKZSUKKZPO-UHFFFAOYSA-N
XLogP5.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-fluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide
CID 112986867
2-(2-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28739611
N-(3,4-difluorophenyl)-2-naphthalen-1-ylacetamide
CID 7771712
2,2,2-trifluoro-N-[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]acetamide
CID 108933170
N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 31087396
2-[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]-N-methylacetamide
CID 35364792
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047562
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113037616
2-(2-fluorophenyl)-N-[4-[(2-methylphenyl)methylamino]phenyl]acetamide
CID 112982033
N-[4-(1-aminoethyl)phenyl]-2-(2-fluorophenyl)acetamide
CID 16783462
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113018345
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113023246

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide (CID 112990293) is N-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)Nc1ccc(Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is KFWKBKZSUKKZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O/c21-17-4-2-1-3-13(17)11-20(26)25-15-7-5-14(6-8-15)24-16-9-10-18(22)19(23)12-16/h1-10,12,24H,11H2,(H,25,26).
What are the key properties of N-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide?
N-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 356.35 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 112990293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).