2,2-dimethyl-N-(2-phenylphenyl)-N-(2,2,2-trifluoroethyl)butanamide

C20H22F3NO — CID 67628630

IUPAC2,2-dimethyl-N-(2-phenylphenyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(C)(C)C(=O)N(CC(F)(F)F)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H22F3NO/c1-4-19(2,3)18(25)24(14-20(21,22)23)17-13-9-8-12-16(17)15-10-6-5-7-11-15/h5-13H,4,14H2,1-3H3
InChIKeyFNEYTJUKSAOOPF-UHFFFAOYSA-N
MW349.40 g/mol
LogP5.69
Rot. Bonds5

About 2,2-dimethyl-N-(2-phenylphenyl)-N-(2,2,2-trifluoroethyl)butanamide

2,2-dimethyl-N-(2-phenylphenyl)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 67628630) has the molecular formula C20H22F3NO and a molecular weight of 349.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-phenylphenyl)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-phenylphenyl)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID67628630
Molecular FormulaC20H22F3NO
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name2,2-dimethyl-N-(2-phenylphenyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(C)(C)C(=O)N(CC(F)(F)F)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H22F3NO/c1-4-19(2,3)18(25)24(14-20(21,22)23)17-13-9-8-12-16(17)15-10-6-5-7-11-15/h5-13H,4,14H2,1-3H3
InChIKeyFNEYTJUKSAOOPF-UHFFFAOYSA-N
XLogP5.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.40
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-phenylphenyl)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2,2-dimethyl-N-(2-phenylphenyl)-N-(2,2,2-trifluoroethyl)butanamide (CID 67628630) is 2,2-dimethyl-N-(2-phenylphenyl)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-phenylphenyl)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-phenylphenyl)-N-(2,2,2-trifluoroethyl)butanamide is CCC(C)(C)C(=O)N(CC(F)(F)F)c1ccccc1-c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-(2-phenylphenyl)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is FNEYTJUKSAOOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO/c1-4-19(2,3)18(25)24(14-20(21,22)23)17-13-9-8-12-16(17)15-10-6-5-7-11-15/h5-13H,4,14H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(2-phenylphenyl)-N-(2,2,2-trifluoroethyl)butanamide?
2,2-dimethyl-N-(2-phenylphenyl)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 349.40 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-phenylphenyl)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 67628630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).