3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide

C19H20N4O4 — CID 606794

IUPAC3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3nncn3C)c2)cc(OC)c1OC
InChIInChI=1S/C19H20N4O4/c1-23-11-20-22-18(23)12-6-5-7-14(8-12)21-19(24)13-9-15(25-2)17(27-4)16(10-13)26-3/h5-11H,1-4H3,(H,21,24)
InChIKeyMFMVJLZRFANDCA-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.76
Rot. Bonds6

About 3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide

3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide (PubChem CID 606794) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
PubChem CID606794
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3nncn3C)c2)cc(OC)c1OC
InChIInChI=1S/C19H20N4O4/c1-23-11-20-22-18(23)12-6-5-7-14(8-12)21-19(24)13-9-15(25-2)17(27-4)16(10-13)26-3/h5-11H,1-4H3,(H,21,24)
InChIKeyMFMVJLZRFANDCA-UHFFFAOYSA-N
XLogP2.76
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide (CID 606794) is 3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide is COc1cc(C(=O)Nc2cccc(-c3nncn3C)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The InChIKey is MFMVJLZRFANDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-23-11-20-22-18(23)12-6-5-7-14(8-12)21-19(24)13-9-15(25-2)17(27-4)16(10-13)26-3/h5-11H,1-4H3,(H,21,24).
What are the key properties of 3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide has a molecular weight of 368.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 606794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).