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

C15H11F2N3O — CID 109011066

IUPACN-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
SMILESN#Cc1cccc(NC(=O)CNc2ccc(F)cc2F)c1
InChIInChI=1S/C15H11F2N3O/c16-11-4-5-14(13(17)7-11)19-9-15(21)20-12-3-1-2-10(6-12)8-18/h1-7,19H,9H2,(H,20,21)
InChIKeyBTUNTLUAIQGRLJ-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.89
Rot. Bonds4

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

N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide (PubChem CID 109011066) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
PubChem CID109011066
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC NameN-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
SMILESN#Cc1cccc(NC(=O)CNc2ccc(F)cc2F)c1
InChIInChI=1S/C15H11F2N3O/c16-11-4-5-14(13(17)7-11)19-9-15(21)20-12-3-1-2-10(6-12)8-18/h1-7,19H,9H2,(H,20,21)
InChIKeyBTUNTLUAIQGRLJ-UHFFFAOYSA-N
XLogP2.89
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 9106150
2-(2-chloro-4-fluoroanilino)-N-(3-cyanophenyl)acetamide
CID 9099516
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369777
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057785
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011065
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069791
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001924
N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide
CID 9102058

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide (CID 109011066) is N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide is N#Cc1cccc(NC(=O)CNc2ccc(F)cc2F)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide?
The InChIKey is BTUNTLUAIQGRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c16-11-4-5-14(13(17)7-11)19-9-15(21)20-12-3-1-2-10(6-12)8-18/h1-7,19H,9H2,(H,20,21).
What are the key properties of N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide?
N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide has a molecular weight of 287.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide is sourced from PubChem (CID 109011066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).