2-[4-cyano-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide

C20H19F4N3O — CID 11960092

IUPAC2-[4-cyano-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N(Cc1ccccc1F)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C20H19F4N3O/c1-13(19(28)26(2)3)27(12-15-6-4-5-7-18(15)21)16-9-8-14(11-25)17(10-16)20(22,23)24/h4-10,13H,12H2,1-3H3
InChIKeyMALNKDJUDRIVJP-UHFFFAOYSA-N
MW393.38 g/mol
LogP4.20
Rot. Bonds5

About 2-[4-cyano-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide

2-[4-cyano-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide (PubChem CID 11960092) has the molecular formula C20H19F4N3O and a molecular weight of 393.38 g/mol. Its IUPAC name is 2-[4-cyano-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-cyano-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
PubChem CID11960092
Molecular FormulaC20H19F4N3O
Molecular Weight393.38 g/mol
Exact Mass393.15
IUPAC Name2-[4-cyano-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N(Cc1ccccc1F)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C20H19F4N3O/c1-13(19(28)26(2)3)27(12-15-6-4-5-7-18(15)21)16-9-8-14(11-25)17(10-16)20(22,23)24/h4-10,13H,12H2,1-3H3
InChIKeyMALNKDJUDRIVJP-UHFFFAOYSA-N
XLogP4.20
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-cyano-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide (CID 11960092) is 2-[4-cyano-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-cyano-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-cyano-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)N(Cc1ccccc1F)c1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-cyano-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide?
The InChIKey is MALNKDJUDRIVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O/c1-13(19(28)26(2)3)27(12-15-6-4-5-7-18(15)21)16-9-8-14(11-25)17(10-16)20(22,23)24/h4-10,13H,12H2,1-3H3.
What are the key properties of 2-[4-cyano-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide?
2-[4-cyano-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide has a molecular weight of 393.38 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-N-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide is sourced from PubChem (CID 11960092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).