N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C21H19F3N4O3 — CID 164881583

IUPACN-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCN(Cc1ccccc1)C(=O)CCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C21H19F3N4O3/c1-28(13-14-5-3-2-4-6-14)17(29)11-12-25-19(30)16-9-7-15(8-10-16)18-26-20(31-27-18)21(22,23)24/h2-10H,11-13H2,1H3,(H,25,30)
InChIKeyVXGLTFXWCUCSNQ-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.53
Rot. Bonds7

About N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 164881583) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID164881583
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC NameN-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCN(Cc1ccccc1)C(=O)CCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C21H19F3N4O3/c1-28(13-14-5-3-2-4-6-14)17(29)11-12-25-19(30)16-9-7-15(8-10-16)18-26-20(31-27-18)21(22,23)24/h2-10H,11-13H2,1H3,(H,25,30)
InChIKeyVXGLTFXWCUCSNQ-UHFFFAOYSA-N
XLogP3.53
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 164881583) is N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is VXGLTFXWCUCSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-28(13-14-5-3-2-4-6-14)17(29)11-12-25-19(30)16-9-7-15(8-10-16)18-26-20(31-27-18)21(22,23)24/h2-10H,11-13H2,1H3,(H,25,30).
What are the key properties of N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 432.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 164881583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).