2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide

C20H19F4N3O — CID 11625346

IUPAC2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCCN(CC(=O)NCc1ccc(F)cc1)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C20H19F4N3O/c1-2-9-27(13-19(28)26-12-14-3-6-16(21)7-4-14)17-8-5-15(11-25)18(10-17)20(22,23)24/h3-8,10H,2,9,12-13H2,1H3,(H,26,28)
InChIKeyYPSWYSMMEGYQKG-UHFFFAOYSA-N
MW393.38 g/mol
LogP4.25
Rot. Bonds7

About 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide

2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 11625346) has the molecular formula C20H19F4N3O and a molecular weight of 393.38 g/mol. Its IUPAC name is 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID11625346
Molecular FormulaC20H19F4N3O
Molecular Weight393.38 g/mol
Exact Mass393.15
IUPAC Name2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCCN(CC(=O)NCc1ccc(F)cc1)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C20H19F4N3O/c1-2-9-27(13-19(28)26-12-14-3-6-16(21)7-4-14)17-8-5-15(11-25)18(10-17)20(22,23)24/h3-8,10H,2,9,12-13H2,1H3,(H,26,28)
InChIKeyYPSWYSMMEGYQKG-UHFFFAOYSA-N
XLogP4.25
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide (CID 11625346) is 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide is CCCN(CC(=O)NCc1ccc(F)cc1)c1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is YPSWYSMMEGYQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O/c1-2-9-27(13-19(28)26-12-14-3-6-16(21)7-4-14)17-8-5-15(11-25)18(10-17)20(22,23)24/h3-8,10H,2,9,12-13H2,1H3,(H,26,28).
What are the key properties of 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 393.38 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-N-propyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 11625346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).