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

C17H15F2N3O — CID 112843076

IUPACN-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide
SMILESCCN(CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2N3O/c1-2-22(14-7-8-15(18)16(19)9-14)11-17(23)21-13-5-3-12(10-20)4-6-13/h3-9H,2,11H2,1H3,(H,21,23)
InChIKeyFPMSEWYHZYJJMU-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.30
Rot. Bonds5

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

N-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide (PubChem CID 112843076) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide
PubChem CID112843076
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC NameN-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide
SMILESCCN(CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2N3O/c1-2-22(14-7-8-15(18)16(19)9-14)11-17(23)21-13-5-3-12(10-20)4-6-13/h3-9H,2,11H2,1H3,(H,21,23)
InChIKeyFPMSEWYHZYJJMU-UHFFFAOYSA-N
XLogP3.30
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide
CID 113181733
N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
CID 60977237
3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 109041719
4-cyano-N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 2995098
N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
3-(N-acetyl-3,4-difluoroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113135622
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 55309601
2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide
CID 63233662
2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide
CID 113181652
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N,N-diethyl-2-(N-ethyl-3,4-difluoroanilino)acetamide
CID 78903043

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide (CID 112843076) is N-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide is CCN(CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide?
The InChIKey is FPMSEWYHZYJJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-2-22(14-7-8-15(18)16(19)9-14)11-17(23)21-13-5-3-12(10-20)4-6-13/h3-9H,2,11H2,1H3,(H,21,23).
What are the key properties of N-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide?
N-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide has a molecular weight of 315.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide is sourced from PubChem (CID 112843076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).