2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide

C20H20F3N3O — CID 11667925

IUPAC2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide
SMILESCCN(CC(=O)N[C@H](C)c1ccccc1)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N3O/c1-3-26(13-19(27)25-14(2)15-7-5-4-6-8-15)17-10-9-16(12-24)18(11-17)20(21,22)23/h4-11,14H,3,13H2,1-2H3,(H,25,27)/t14-/m1/s1
InChIKeyGTZASICTYCZJAR-CQSZACIVSA-N
MW375.39 g/mol
LogP4.28
Rot. Bonds6

About 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide

2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 11667925) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID11667925
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC Name2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide
SMILESCCN(CC(=O)N[C@H](C)c1ccccc1)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N3O/c1-3-26(13-19(27)25-14(2)15-7-5-4-6-8-15)17-10-9-16(12-24)18(11-17)20(21,22)23/h4-11,14H,3,13H2,1-2H3,(H,25,27)/t14-/m1/s1
InChIKeyGTZASICTYCZJAR-CQSZACIVSA-N
XLogP4.28
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.28
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-ethyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide (CID 11667925) is 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide is CCN(CC(=O)N[C@H](C)c1ccccc1)c1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is GTZASICTYCZJAR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20F3N3O/c1-3-26(13-19(27)25-14(2)15-7-5-4-6-8-15)17-10-9-16(12-24)18(11-17)20(21,22)23/h4-11,14H,3,13H2,1-2H3,(H,25,27)/t14-/m1/s1.
What are the key properties of 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide?
2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 375.39 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 11667925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).