2-(benzotriazol-1-yl)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide

C15H12ClN5O2 — CID 135683665

IUPAC2-(benzotriazol-1-yl)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cn1nnc2ccccc21)N/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C15H12ClN5O2/c16-11-5-6-14(22)10(7-11)8-17-19-15(23)9-21-13-4-2-1-3-12(13)18-20-21/h1-8,22H,9H2,(H,19,23)/b17-8+
InChIKeyIFASPFHAYMKFKA-CAOOACKPSA-N
MW329.75 g/mol
LogP1.94
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide

2-(benzotriazol-1-yl)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135683665) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135683665
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC Name2-(benzotriazol-1-yl)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(Cn1nnc2ccccc21)N/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C15H12ClN5O2/c16-11-5-6-14(22)10(7-11)8-17-19-15(23)9-21-13-4-2-1-3-12(13)18-20-21/h1-8,22H,9H2,(H,19,23)/b17-8+
InChIKeyIFASPFHAYMKFKA-CAOOACKPSA-N
XLogP1.94
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 51.94
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)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide (CID 135683665) is 2-(benzotriazol-1-yl)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide is O=C(Cn1nnc2ccccc21)N/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is IFASPFHAYMKFKA-CAOOACKPSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c16-11-5-6-14(22)10(7-11)8-17-19-15(23)9-21-13-4-2-1-3-12(13)18-20-21/h1-8,22H,9H2,(H,19,23)/b17-8+.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide?
2-(benzotriazol-1-yl)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 329.75 g/mol, XLogP of 1.94, 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)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135683665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).