2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide

C22H18N4O2 — CID 3257465

IUPAC2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1ccc(-n2nncc2-c2ccccc2)cc1
InChIInChI=1S/C22H18N4O2/c27-22(16-28-20-9-5-2-6-10-20)24-18-11-13-19(14-12-18)26-21(15-23-25-26)17-7-3-1-4-8-17/h1-15H,16H2,(H,24,27)
InChIKeyRKEBDSURYUWVQP-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.95
Rot. Bonds6

About 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide

2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide (PubChem CID 3257465) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide
PubChem CID3257465
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1ccc(-n2nncc2-c2ccccc2)cc1
InChIInChI=1S/C22H18N4O2/c27-22(16-28-20-9-5-2-6-10-20)24-18-11-13-19(14-12-18)26-21(15-23-25-26)17-7-3-1-4-8-17/h1-15H,16H2,(H,24,27)
InChIKeyRKEBDSURYUWVQP-UHFFFAOYSA-N
XLogP3.95
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide (CID 3257465) is 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide is O=C(COc1ccccc1)Nc1ccc(-n2nncc2-c2ccccc2)cc1.
What is the InChIKey of 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide?
The InChIKey is RKEBDSURYUWVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-22(16-28-20-9-5-2-6-10-20)24-18-11-13-19(14-12-18)26-21(15-23-25-26)17-7-3-1-4-8-17/h1-15H,16H2,(H,24,27).
What are the key properties of 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide?
2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 3257465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).