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

C23H19ClN4O2 — CID 134136503

IUPAC2-chloro-N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(-n2cc(C(O)(c3ccccc3)c3ccccc3)nn2)cc1
InChIInChI=1S/C23H19ClN4O2/c24-15-22(29)25-19-11-13-20(14-12-19)28-16-21(26-27-28)23(30,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,16,30H,15H2,(H,25,29)
InChIKeyVPWMTTOBCUDJQB-UHFFFAOYSA-N
MW418.88 g/mol
LogP3.73
Rot. Bonds6

About 2-chloro-N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide

2-chloro-N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide (PubChem CID 134136503) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is 2-chloro-N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide
PubChem CID134136503
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC Name2-chloro-N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(-n2cc(C(O)(c3ccccc3)c3ccccc3)nn2)cc1
InChIInChI=1S/C23H19ClN4O2/c24-15-22(29)25-19-11-13-20(14-12-19)28-16-21(26-27-28)23(30,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,16,30H,15H2,(H,25,29)
InChIKeyVPWMTTOBCUDJQB-UHFFFAOYSA-N
XLogP3.73
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide (CID 134136503) is 2-chloro-N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide is O=C(CCl)Nc1ccc(-n2cc(C(O)(c3ccccc3)c3ccccc3)nn2)cc1.
What is the InChIKey of 2-chloro-N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide?
The InChIKey is VPWMTTOBCUDJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c24-15-22(29)25-19-11-13-20(14-12-19)28-16-21(26-27-28)23(30,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,16,30H,15H2,(H,25,29).
What are the key properties of 2-chloro-N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide?
2-chloro-N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide has a molecular weight of 418.88 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[4-[hydroxy(diphenyl)methyl]triazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 134136503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).