3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C22H19F3N2O2 — CID 46490817

IUPAC3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C22H19F3N2O2/c23-22(24,25)19-8-6-16(7-9-19)10-12-27-21(28)18-4-1-5-20(13-18)29-15-17-3-2-11-26-14-17/h1-9,11,13-14H,10,12,15H2,(H,27,28)
InChIKeyCTFRBUSGWZZPJZ-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.65
Rot. Bonds7

About 3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 46490817) has the molecular formula C22H19F3N2O2 and a molecular weight of 400.40 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID46490817
Molecular FormulaC22H19F3N2O2
Molecular Weight400.40 g/mol
Exact Mass400.14
IUPAC Name3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C22H19F3N2O2/c23-22(24,25)19-8-6-16(7-9-19)10-12-27-21(28)18-4-1-5-20(13-18)29-15-17-3-2-11-26-14-17/h1-9,11,13-14H,10,12,15H2,(H,27,28)
InChIKeyCTFRBUSGWZZPJZ-UHFFFAOYSA-N
XLogP4.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 59607236
3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932884
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
N-[2-[[N'-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111295755
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
1-(pyridin-3-ylmethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 36873268
N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 111483720
N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 39559682
N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide
CID 47091227
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 46490817) is 3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(NCCc1ccc(C(F)(F)F)cc1)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of 3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is CTFRBUSGWZZPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O2/c23-22(24,25)19-8-6-16(7-9-19)10-12-27-21(28)18-4-1-5-20(13-18)29-15-17-3-2-11-26-14-17/h1-9,11,13-14H,10,12,15H2,(H,27,28).
What are the key properties of 3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 400.40 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 46490817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).