4-tert-butyl-N-(3-carbamoylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide

C24H22F3N3O3 — CID 25260823

IUPAC4-tert-butyl-N-(3-carbamoylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(C(N)=O)c2)c(Oc2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C24H22F3N3O3/c1-23(2,3)15-7-9-18(22(32)30-16-6-4-5-14(11-16)21(28)31)19(12-15)33-17-8-10-20(29-13-17)24(25,26)27/h4-13H,1-3H3,(H2,28,31)(H,30,32)
InChIKeyHMLKWIQDDSENFT-UHFFFAOYSA-N
MW457.45 g/mol
LogP5.54
Rot. Bonds5

About 4-tert-butyl-N-(3-carbamoylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide

4-tert-butyl-N-(3-carbamoylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide (PubChem CID 25260823) has the molecular formula C24H22F3N3O3 and a molecular weight of 457.45 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-carbamoylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-carbamoylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
PubChem CID25260823
Molecular FormulaC24H22F3N3O3
Molecular Weight457.45 g/mol
Exact Mass457.16
IUPAC Name4-tert-butyl-N-(3-carbamoylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(C(N)=O)c2)c(Oc2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C24H22F3N3O3/c1-23(2,3)15-7-9-18(22(32)30-16-6-4-5-14(11-16)21(28)31)19(12-15)33-17-8-10-20(29-13-17)24(25,26)27/h4-13H,1-3H3,(H2,28,31)(H,30,32)
InChIKeyHMLKWIQDDSENFT-UHFFFAOYSA-N
XLogP5.54
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.45
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-carbamoylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The IUPAC name of 4-tert-butyl-N-(3-carbamoylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide (CID 25260823) is 4-tert-butyl-N-(3-carbamoylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide.
What is the SMILES notation for 4-tert-butyl-N-(3-carbamoylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The canonical SMILES for 4-tert-butyl-N-(3-carbamoylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(C(N)=O)c2)c(Oc2ccc(C(F)(F)F)nc2)c1.
What is the InChIKey of 4-tert-butyl-N-(3-carbamoylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The InChIKey is HMLKWIQDDSENFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O3/c1-23(2,3)15-7-9-18(22(32)30-16-6-4-5-14(11-16)21(28)31)19(12-15)33-17-8-10-20(29-13-17)24(25,26)27/h4-13H,1-3H3,(H2,28,31)(H,30,32).
What are the key properties of 4-tert-butyl-N-(3-carbamoylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
4-tert-butyl-N-(3-carbamoylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide has a molecular weight of 457.45 g/mol, XLogP of 5.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-carbamoylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide is sourced from PubChem (CID 25260823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).