5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide

C24H20BrF3N2O3 — CID 43887269

IUPAC5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H20BrF3N2O3/c1-14(2)33-21-11-8-17(25)13-20(21)23(32)29-18-9-6-15(7-10-18)22(31)30-19-5-3-4-16(12-19)24(26,27)28/h3-14H,1-2H3,(H,29,32)(H,30,31)
InChIKeyIMKHEFFLEGLTFU-UHFFFAOYSA-N
MW521.33 g/mol
LogP6.76
Rot. Bonds6

About 5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide

5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide (PubChem CID 43887269) has the molecular formula C24H20BrF3N2O3 and a molecular weight of 521.33 g/mol. Its IUPAC name is 5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
PubChem CID43887269
Molecular FormulaC24H20BrF3N2O3
Molecular Weight521.33 g/mol
Exact Mass520.06
IUPAC Name5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H20BrF3N2O3/c1-14(2)33-21-11-8-17(25)13-20(21)23(32)29-18-9-6-15(7-10-18)22(31)30-19-5-3-4-16(12-19)24(26,27)28/h3-14H,1-2H3,(H,29,32)(H,30,31)
InChIKeyIMKHEFFLEGLTFU-UHFFFAOYSA-N
XLogP6.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.33
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 26164799
5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197517
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414
5-bromo-N-[3-(tert-butylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28639516
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 17227881
5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide
CID 17187649

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The IUPAC name of 5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide (CID 43887269) is 5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for 5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide is CC(C)Oc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The InChIKey is IMKHEFFLEGLTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrF3N2O3/c1-14(2)33-21-11-8-17(25)13-20(21)23(32)29-18-9-6-15(7-10-18)22(31)30-19-5-3-4-16(12-19)24(26,27)28/h3-14H,1-2H3,(H,29,32)(H,30,31).
What are the key properties of 5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide has a molecular weight of 521.33 g/mol, XLogP of 6.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 43887269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).