2-(benzotriazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide

C15H12FN5O — CID 6872983

IUPAC2-(benzotriazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
SMILESO=C(Cn1nc2ccccc2n1)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C15H12FN5O/c16-12-7-5-11(6-8-12)9-17-18-15(22)10-21-19-13-3-1-2-4-14(13)20-21/h1-9H,10H2,(H,18,22)/b17-9+
InChIKeyLHSQNXGGXZBQNY-RQZCQDPDSA-N
MW297.29 g/mol
LogP1.72
Rot. Bonds4

About 2-(benzotriazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide

2-(benzotriazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide (PubChem CID 6872983) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
PubChem CID6872983
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC Name2-(benzotriazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
SMILESO=C(Cn1nc2ccccc2n1)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C15H12FN5O/c16-12-7-5-11(6-8-12)9-17-18-15(22)10-21-19-13-3-1-2-4-14(13)20-21/h1-9H,10H2,(H,18,22)/b17-9+
InChIKeyLHSQNXGGXZBQNY-RQZCQDPDSA-N
XLogP1.72
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.72
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-[(E)-(4-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide (CID 6872983) is 2-(benzotriazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide is O=C(Cn1nc2ccccc2n1)N/N=C/c1ccc(F)cc1.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide?
The InChIKey is LHSQNXGGXZBQNY-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H12FN5O/c16-12-7-5-11(6-8-12)9-17-18-15(22)10-21-19-13-3-1-2-4-14(13)20-21/h1-9H,10H2,(H,18,22)/b17-9+.
What are the key properties of 2-(benzotriazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide?
2-(benzotriazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide has a molecular weight of 297.29 g/mol, XLogP of 1.72, 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-[(E)-(4-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6872983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).