N-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide

C18H13F3N2O2S — CID 133382101

IUPACN-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(Oc2nc(C(F)(F)F)cs2)c1
InChIInChI=1S/C18H13F3N2O2S/c19-18(20,21)15-11-26-17(23-15)25-14-8-4-7-13(9-14)16(24)22-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,22,24)
InChIKeyIAACTRWVQRGNST-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.88
Rot. Bonds5

About N-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide

N-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide (PubChem CID 133382101) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is N-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide
PubChem CID133382101
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC NameN-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(Oc2nc(C(F)(F)F)cs2)c1
InChIInChI=1S/C18H13F3N2O2S/c19-18(20,21)15-11-26-17(23-15)25-14-8-4-7-13(9-14)16(24)22-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,22,24)
InChIKeyIAACTRWVQRGNST-UHFFFAOYSA-N
XLogP4.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55712150
N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide
CID 9112729
3-[[(3-phenoxybenzoyl)amino]methyl]benzamide
CID 32636499
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
[3-(benzylcarbamoyl)phenyl] 3,5-difluorobenzoate
CID 8879154
[3-(benzylcarbamoyl)phenyl] 4-fluorobenzenesulfonate
CID 31391254
N-ethyl-3-[[[N'-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111615643
3-(4-acetyl-2-nitrophenoxy)-N-benzylbenzamide
CID 9112726
1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109054164
N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
CID 9253337

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide?
The IUPAC name of N-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide (CID 133382101) is N-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide.
What is the SMILES notation for N-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide?
The canonical SMILES for N-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide is O=C(NCc1ccccc1)c1cccc(Oc2nc(C(F)(F)F)cs2)c1.
What is the InChIKey of N-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide?
The InChIKey is IAACTRWVQRGNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c19-18(20,21)15-11-26-17(23-15)25-14-8-4-7-13(9-14)16(24)22-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,22,24).
What are the key properties of N-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide?
N-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide has a molecular weight of 378.38 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]benzamide is sourced from PubChem (CID 133382101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).