3,4-diethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide

C25H24N4O3 — CID 5244892

IUPAC3,4-diethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)cc1OCC
InChIInChI=1S/C25H24N4O3/c1-3-31-23-15-10-19(16-24(23)32-4-2)25(30)27-20-11-13-21(14-12-20)29-22(17-26-28-29)18-8-6-5-7-9-18/h5-17H,3-4H2,1-2H3,(H,27,30)
InChIKeySFMWYQJYMTXTJI-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.98
Rot. Bonds8

About 3,4-diethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide

3,4-diethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide (PubChem CID 5244892) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3,4-diethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
PubChem CID5244892
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name3,4-diethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)cc1OCC
InChIInChI=1S/C25H24N4O3/c1-3-31-23-15-10-19(16-24(23)32-4-2)25(30)27-20-11-13-21(14-12-20)29-22(17-26-28-29)18-8-6-5-7-9-18/h5-17H,3-4H2,1-2H3,(H,27,30)
InChIKeySFMWYQJYMTXTJI-UHFFFAOYSA-N
XLogP4.98
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide (CID 5244892) is 3,4-diethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The InChIKey is SFMWYQJYMTXTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-3-31-23-15-10-19(16-24(23)32-4-2)25(30)27-20-11-13-21(14-12-20)29-22(17-26-28-29)18-8-6-5-7-9-18/h5-17H,3-4H2,1-2H3,(H,27,30).
What are the key properties of 3,4-diethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
3,4-diethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide has a molecular weight of 428.49 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 5244892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).