3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

C25H23F3N2O3 — CID 43878204

IUPAC3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C25H23F3N2O3/c1-3-22(33-21-12-10-16(2)11-13-21)24(32)30-19-8-4-6-17(14-19)23(31)29-20-9-5-7-18(15-20)25(26,27)28/h4-15,22H,3H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyKEWVSQMEONUTIR-UHFFFAOYSA-N
MW456.46 g/mol
LogP6.06
Rot. Bonds7

About 3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 43878204) has the molecular formula C25H23F3N2O3 and a molecular weight of 456.46 g/mol. Its IUPAC name is 3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID43878204
Molecular FormulaC25H23F3N2O3
Molecular Weight456.46 g/mol
Exact Mass456.17
IUPAC Name3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C25H23F3N2O3/c1-3-22(33-21-12-10-16(2)11-13-21)24(32)30-19-8-4-6-17(14-19)23(31)29-20-9-5-7-18(15-20)25(26,27)28/h4-15,22H,3H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyKEWVSQMEONUTIR-UHFFFAOYSA-N
XLogP6.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.46
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 28578484
N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide
CID 4949978
ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate
CID 132652172
4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 17197649
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
CID 41228638
4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17232344
3-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43878312
2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide
CID 43878334
N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide
CID 43887296
N-(3-chloro-4-fluorophenyl)-3-[2-(3-methylphenoxy)butanoylamino]benzamide
CID 43877932
4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide
CID 19645089

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 43878204) is 3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide is CCC(Oc1ccc(C)cc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is KEWVSQMEONUTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3/c1-3-22(33-21-12-10-16(2)11-13-21)24(32)30-19-8-4-6-17(14-19)23(31)29-20-9-5-7-18(15-20)25(26,27)28/h4-15,22H,3H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 456.46 g/mol, XLogP of 6.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 43878204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).