2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide

C16H14FN5O — CID 1219352

IUPAC2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)Cn1nc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN5O/c1-11(12-6-8-13(17)9-7-12)18-19-16(23)10-22-20-14-4-2-3-5-15(14)21-22/h2-9H,10H2,1H3,(H,19,23)
InChIKeyJBISZSWLSDHZHM-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.11
Rot. Bonds4

About 2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide

2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide (PubChem CID 1219352) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
PubChem CID1219352
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)Cn1nc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN5O/c1-11(12-6-8-13(17)9-7-12)18-19-16(23)10-22-20-14-4-2-3-5-15(14)21-22/h2-9H,10H2,1H3,(H,19,23)
InChIKeyJBISZSWLSDHZHM-UHFFFAOYSA-N
XLogP2.11
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide (CID 1219352) is 2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide is CC(=NNC(=O)Cn1nc2ccccc2n1)c1ccc(F)cc1.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide?
The InChIKey is JBISZSWLSDHZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-11(12-6-8-13(17)9-7-12)18-19-16(23)10-22-20-14-4-2-3-5-15(14)21-22/h2-9H,10H2,1H3,(H,19,23).
What are the key properties of 2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide?
2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide has a molecular weight of 311.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 1219352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).