3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C25H23F3N2O3 — CID 26167969

IUPAC3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C25H23F3N2O3/c1-16(2)15-33-22-11-4-7-18(13-22)24(32)29-20-9-3-6-17(12-20)23(31)30-21-10-5-8-19(14-21)25(26,27)28/h3-14,16H,15H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyNAUZUBAJTAKOMY-UHFFFAOYSA-N
MW456.46 g/mol
LogP6.24
Rot. Bonds7

About 3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 26167969) has the molecular formula C25H23F3N2O3 and a molecular weight of 456.46 g/mol. Its IUPAC name is 3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID26167969
Molecular FormulaC25H23F3N2O3
Molecular Weight456.46 g/mol
Exact Mass456.17
IUPAC Name3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C25H23F3N2O3/c1-16(2)15-33-22-11-4-7-18(13-22)24(32)29-20-9-3-6-17(12-20)23(31)30-21-10-5-8-19(14-21)25(26,27)28/h3-14,16H,15H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyNAUZUBAJTAKOMY-UHFFFAOYSA-N
XLogP6.24
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 ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26168288
3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639289
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377
4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079565
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
3-methoxy-N-[3-[[[3-(trifluoromethyl)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 126228131
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide
CID 1371534
3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231448
N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 14405584

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 26167969) is 3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is CC(C)COc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1.
What is the InChIKey of 3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NAUZUBAJTAKOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3/c1-16(2)15-33-22-11-4-7-18(13-22)24(32)29-20-9-3-6-17(12-20)23(31)30-21-10-5-8-19(14-21)25(26,27)28/h3-14,16H,15H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of 3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 456.46 g/mol, XLogP of 6.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 26167969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).