2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

C19H15N5O2 — CID 135804458

IUPAC2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(Cn1nnc2ccccc21)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H15N5O2/c25-18-10-9-13-5-1-2-6-14(13)15(18)11-20-22-19(26)12-24-17-8-4-3-7-16(17)21-23-24/h1-11,25H,12H2,(H,22,26)/b20-11+
InChIKeyGZBLFTIASXJYBR-RGVLZGJSSA-N
MW345.36 g/mol
LogP2.44
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 135804458) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID135804458
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(Cn1nnc2ccccc21)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H15N5O2/c25-18-10-9-13-5-1-2-6-14(13)15(18)11-20-22-19(26)12-24-17-8-4-3-7-16(17)21-23-24/h1-11,25H,12H2,(H,22,26)/b20-11+
InChIKeyGZBLFTIASXJYBR-RGVLZGJSSA-N
XLogP2.44
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (CID 135804458) is 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is O=C(Cn1nnc2ccccc21)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is GZBLFTIASXJYBR-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-18-10-9-13-5-1-2-6-14(13)15(18)11-20-22-19(26)12-24-17-8-4-3-7-16(17)21-23-24/h1-11,25H,12H2,(H,22,26)/b20-11+.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 345.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 135804458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).