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

C21H16FN3O — CID 112990067

IUPACN-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide
SMILESN#Cc1ccc(Nc2ccc(NC(=O)Cc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C21H16FN3O/c22-17-3-1-2-16(12-17)13-21(26)25-20-10-8-19(9-11-20)24-18-6-4-15(14-23)5-7-18/h1-12,24H,13H2,(H,25,26)
InChIKeyQHUPGDKLHILCEE-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.62
Rot. Bonds5

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

N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide (PubChem CID 112990067) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide
PubChem CID112990067
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC NameN-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide
SMILESN#Cc1ccc(Nc2ccc(NC(=O)Cc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C21H16FN3O/c22-17-3-1-2-16(12-17)13-21(26)25-20-10-8-19(9-11-20)24-18-6-4-15(14-23)5-7-18/h1-12,24H,13H2,(H,25,26)
InChIKeyQHUPGDKLHILCEE-UHFFFAOYSA-N
XLogP4.62
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 113002054
2-(3-fluorophenyl)-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 112987540
4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid
CID 18070264
N-(4-acetylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023465
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 55986734
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-(3-fluorophenyl)acetamide
CID 62303729
N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113035220
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide
CID 112980257
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide (CID 112990067) is N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide is N#Cc1ccc(Nc2ccc(NC(=O)Cc3cccc(F)c3)cc2)cc1.
What is the InChIKey of N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is QHUPGDKLHILCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c22-17-3-1-2-16(12-17)13-21(26)25-20-10-8-19(9-11-20)24-18-6-4-15(14-23)5-7-18/h1-12,24H,13H2,(H,25,26).
What are the key properties of N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide?
N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 345.38 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 112990067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).