N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide

C25H24F3NO3 — CID 100784401

IUPACN-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide
SMILESCOCCOc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C25H24F3NO3/c1-24(18-9-5-3-6-10-18,19-11-7-4-8-12-19)23(30)29-20-13-14-22(32-16-15-31-2)21(17-20)25(26,27)28/h3-14,17H,15-16H2,1-2H3,(H,29,30)
InChIKeySMMBJLOEYWOFCH-UHFFFAOYSA-N
MW443.47 g/mol
LogP5.68
Rot. Bonds8

About N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide

N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide (PubChem CID 100784401) has the molecular formula C25H24F3NO3 and a molecular weight of 443.47 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide
PubChem CID100784401
Molecular FormulaC25H24F3NO3
Molecular Weight443.47 g/mol
Exact Mass443.17
IUPAC NameN-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide
SMILESCOCCOc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C25H24F3NO3/c1-24(18-9-5-3-6-10-18,19-11-7-4-8-12-19)23(30)29-20-13-14-22(32-16-15-31-2)21(17-20)25(26,27)28/h3-14,17H,15-16H2,1-2H3,(H,29,30)
InChIKeySMMBJLOEYWOFCH-UHFFFAOYSA-N
XLogP5.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,3-triphenylpropanamide
CID 100784441
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
2,2-diphenyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]butanamide
CID 100784419
(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide
CID 100763997
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593348
N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 1248582
4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol
CID 166611038
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
(2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766204
(2S)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764483
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzoic acid
CID 55206438
N-[3-(2,2-diphenylpropanoylamino)phenyl]benzamide
CID 2263945

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide?
The IUPAC name of N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide (CID 100784401) is N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide is COCCOc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide?
The InChIKey is SMMBJLOEYWOFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3NO3/c1-24(18-9-5-3-6-10-18,19-11-7-4-8-12-19)23(30)29-20-13-14-22(32-16-15-31-2)21(17-20)25(26,27)28/h3-14,17H,15-16H2,1-2H3,(H,29,30).
What are the key properties of N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide?
N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide has a molecular weight of 443.47 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide is sourced from PubChem (CID 100784401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).