2-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide

C23H20N4O2 — CID 3630643

IUPAC2-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(-n2nncc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c1-2-29-22-11-7-6-10-20(22)23(28)25-18-12-14-19(15-13-18)27-21(16-24-26-27)17-8-4-3-5-9-17/h3-16H,2H2,1H3,(H,25,28)
InChIKeyQDTSERGJKKXRRK-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.59
Rot. Bonds6

About 2-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide

2-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide (PubChem CID 3630643) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
PubChem CID3630643
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(-n2nncc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c1-2-29-22-11-7-6-10-20(22)23(28)25-18-12-14-19(15-13-18)27-21(16-24-26-27)17-8-4-3-5-9-17/h3-16H,2H2,1H3,(H,25,28)
InChIKeyQDTSERGJKKXRRK-UHFFFAOYSA-N
XLogP4.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide (CID 3630643) is 2-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide is CCOc1ccccc1C(=O)Nc1ccc(-n2nncc2-c2ccccc2)cc1.
What is the InChIKey of 2-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The InChIKey is QDTSERGJKKXRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-2-29-22-11-7-6-10-20(22)23(28)25-18-12-14-19(15-13-18)27-21(16-24-26-27)17-8-4-3-5-9-17/h3-16H,2H2,1H3,(H,25,28).
What are the key properties of 2-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
2-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 3630643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).