3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide

C16H11F2N3O2 — CID 7930152

IUPAC3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H11F2N3O2/c17-13-5-4-12(7-14(13)18)21-15(22)9-20-16(23)11-3-1-2-10(6-11)8-19/h1-7H,9H2,(H,20,23)(H,21,22)
InChIKeyCFWBIBZBKMMGAX-UHFFFAOYSA-N
MW315.28 g/mol
LogP2.20
Rot. Bonds4

About 3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide

3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide (PubChem CID 7930152) has the molecular formula C16H11F2N3O2 and a molecular weight of 315.28 g/mol. Its IUPAC name is 3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
PubChem CID7930152
Molecular FormulaC16H11F2N3O2
Molecular Weight315.28 g/mol
Exact Mass315.08
IUPAC Name3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H11F2N3O2/c17-13-5-4-12(7-14(13)18)21-15(22)9-20-16(23)11-3-1-2-10(6-11)8-19/h1-7H,9H2,(H,20,23)(H,21,22)
InChIKeyCFWBIBZBKMMGAX-UHFFFAOYSA-N
XLogP2.20
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(3-cyanoanilino)-2-oxoethyl]benzamide
CID 9245643
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
CID 7930162
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001924
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 113002351
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095
4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151170

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide (CID 7930152) is 3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide is N#Cc1cccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide?
The InChIKey is CFWBIBZBKMMGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2/c17-13-5-4-12(7-14(13)18)21-15(22)9-20-16(23)11-3-1-2-10(6-11)8-19/h1-7H,9H2,(H,20,23)(H,21,22).
What are the key properties of 3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide?
3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide has a molecular weight of 315.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 7930152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).