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

C18H15F4N3O — CID 11710337

IUPAC2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(F)cc1)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C18H15F4N3O/c1-2-25(11-17(26)24-14-6-4-13(19)5-7-14)15-8-3-12(10-23)16(9-15)18(20,21)22/h3-9H,2,11H2,1H3,(H,24,26)
InChIKeyKRBVMFYLNWQASL-UHFFFAOYSA-N
MW365.33 g/mol
LogP4.18
Rot. Bonds5

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

2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide (PubChem CID 11710337) has the molecular formula C18H15F4N3O and a molecular weight of 365.33 g/mol. Its IUPAC name is 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide
PubChem CID11710337
Molecular FormulaC18H15F4N3O
Molecular Weight365.33 g/mol
Exact Mass365.12
IUPAC Name2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(F)cc1)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C18H15F4N3O/c1-2-25(11-17(26)24-14-6-4-13(19)5-7-14)15-8-3-12(10-23)16(9-15)18(20,21)22/h3-9H,2,11H2,1H3,(H,24,26)
InChIKeyKRBVMFYLNWQASL-UHFFFAOYSA-N
XLogP4.18
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 54.18
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-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide (CID 11710337) is 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide is CCN(CC(=O)Nc1ccc(F)cc1)c1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide?
The InChIKey is KRBVMFYLNWQASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O/c1-2-25(11-17(26)24-14-6-4-13(19)5-7-14)15-8-3-12(10-23)16(9-15)18(20,21)22/h3-9H,2,11H2,1H3,(H,24,26).
What are the key properties of 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide?
2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide has a molecular weight of 365.33 g/mol, XLogP of 4.18, 5 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 11710337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).