N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide

C23H20N4O2 — CID 134141156

IUPACN-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2cc(C(O)(c3ccccc3)c3ccccc3)nn2)cc1
InChIInChI=1S/C23H20N4O2/c1-17(28)24-20-12-14-21(15-13-20)27-16-22(25-26-27)23(29,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,29H,1H3,(H,24,28)
InChIKeySAOAJWRWOOHXNL-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.51
Rot. Bonds5

About N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide

N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide (PubChem CID 134141156) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide
PubChem CID134141156
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2cc(C(O)(c3ccccc3)c3ccccc3)nn2)cc1
InChIInChI=1S/C23H20N4O2/c1-17(28)24-20-12-14-21(15-13-20)27-16-22(25-26-27)23(29,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,29H,1H3,(H,24,28)
InChIKeySAOAJWRWOOHXNL-UHFFFAOYSA-N
XLogP3.51
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide (CID 134141156) is N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(-n2cc(C(O)(c3ccccc3)c3ccccc3)nn2)cc1.
What is the InChIKey of N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide?
The InChIKey is SAOAJWRWOOHXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-17(28)24-20-12-14-21(15-13-20)27-16-22(25-26-27)23(29,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,29H,1H3,(H,24,28).
What are the key properties of N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide?
N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 134141156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).