4-(benzotriazol-1-ylmethoxy)-1-hydroxy-N-phenylnaphthalene-2-carboxamide

C24H18N4O3 — CID 20818287

IUPAC4-(benzotriazol-1-ylmethoxy)-1-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(OCn2nnc3ccccc32)c2ccccc2c1O
InChIInChI=1S/C24H18N4O3/c29-23-18-11-5-4-10-17(18)22(14-19(23)24(30)25-16-8-2-1-3-9-16)31-15-28-21-13-7-6-12-20(21)26-27-28/h1-14,29H,15H2,(H,25,30)
InChIKeyOBYIXVZNUYAGDD-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.58
Rot. Bonds5

About 4-(benzotriazol-1-ylmethoxy)-1-hydroxy-N-phenylnaphthalene-2-carboxamide

4-(benzotriazol-1-ylmethoxy)-1-hydroxy-N-phenylnaphthalene-2-carboxamide (PubChem CID 20818287) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is 4-(benzotriazol-1-ylmethoxy)-1-hydroxy-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-(benzotriazol-1-ylmethoxy)-1-hydroxy-N-phenylnaphthalene-2-carboxamide
PubChem CID20818287
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name4-(benzotriazol-1-ylmethoxy)-1-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(OCn2nnc3ccccc32)c2ccccc2c1O
InChIInChI=1S/C24H18N4O3/c29-23-18-11-5-4-10-17(18)22(14-19(23)24(30)25-16-8-2-1-3-9-16)31-15-28-21-13-7-6-12-20(21)26-27-28/h1-14,29H,15H2,(H,25,30)
InChIKeyOBYIXVZNUYAGDD-UHFFFAOYSA-N
XLogP4.58
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(benzotriazol-1-ylmethoxy)-1-hydroxy-N-phenylnaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-ylmethoxy)-1-hydroxy-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 4-(benzotriazol-1-ylmethoxy)-1-hydroxy-N-phenylnaphthalene-2-carboxamide (CID 20818287) is 4-(benzotriazol-1-ylmethoxy)-1-hydroxy-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 4-(benzotriazol-1-ylmethoxy)-1-hydroxy-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 4-(benzotriazol-1-ylmethoxy)-1-hydroxy-N-phenylnaphthalene-2-carboxamide is O=C(Nc1ccccc1)c1cc(OCn2nnc3ccccc32)c2ccccc2c1O.
What is the InChIKey of 4-(benzotriazol-1-ylmethoxy)-1-hydroxy-N-phenylnaphthalene-2-carboxamide?
The InChIKey is OBYIXVZNUYAGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c29-23-18-11-5-4-10-17(18)22(14-19(23)24(30)25-16-8-2-1-3-9-16)31-15-28-21-13-7-6-12-20(21)26-27-28/h1-14,29H,15H2,(H,25,30).
What are the key properties of 4-(benzotriazol-1-ylmethoxy)-1-hydroxy-N-phenylnaphthalene-2-carboxamide?
4-(benzotriazol-1-ylmethoxy)-1-hydroxy-N-phenylnaphthalene-2-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-ylmethoxy)-1-hydroxy-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 20818287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).