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

C23H23F3N4O3 — CID 164881504

IUPACN-[3-[benzyl(methyl)amino]-2,2-dimethyl-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCN(Cc1ccccc1)C(=O)C(C)(C)CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C23H23F3N4O3/c1-22(2,21(32)30(3)13-15-7-5-4-6-8-15)14-27-19(31)17-11-9-16(10-12-17)18-28-20(33-29-18)23(24,25)26/h4-12H,13-14H2,1-3H3,(H,27,31)
InChIKeyCLZRBQPQQIZJCH-UHFFFAOYSA-N
MW460.46 g/mol
LogP4.17
Rot. Bonds7

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

N-[3-[benzyl(methyl)amino]-2,2-dimethyl-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 164881504) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]-2,2-dimethyl-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]-2,2-dimethyl-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID164881504
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC NameN-[3-[benzyl(methyl)amino]-2,2-dimethyl-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCN(Cc1ccccc1)C(=O)C(C)(C)CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C23H23F3N4O3/c1-22(2,21(32)30(3)13-15-7-5-4-6-8-15)14-27-19(31)17-11-9-16(10-12-17)18-28-20(33-29-18)23(24,25)26/h4-12H,13-14H2,1-3H3,(H,27,31)
InChIKeyCLZRBQPQQIZJCH-UHFFFAOYSA-N
XLogP4.17
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.17
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]-2,2-dimethyl-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]-2,2-dimethyl-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 164881504) is N-[3-[benzyl(methyl)amino]-2,2-dimethyl-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]-2,2-dimethyl-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]-2,2-dimethyl-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is CN(Cc1ccccc1)C(=O)C(C)(C)CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]-2,2-dimethyl-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is CLZRBQPQQIZJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-22(2,21(32)30(3)13-15-7-5-4-6-8-15)14-27-19(31)17-11-9-16(10-12-17)18-28-20(33-29-18)23(24,25)26/h4-12H,13-14H2,1-3H3,(H,27,31).
What are the key properties of N-[3-[benzyl(methyl)amino]-2,2-dimethyl-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[3-[benzyl(methyl)amino]-2,2-dimethyl-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 460.46 g/mol, XLogP of 4.17, 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]-2,2-dimethyl-3-oxopropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 164881504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).