2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide

C17H16FN5O2 — CID 135846281

IUPAC2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide
SMILESCC/C(=N\NC(=O)Cn1nnc2ccccc21)c1cc(F)ccc1O
InChIInChI=1S/C17H16FN5O2/c1-2-13(12-9-11(18)7-8-16(12)24)19-21-17(25)10-23-15-6-4-3-5-14(15)20-22-23/h3-9,24H,2,10H2,1H3,(H,21,25)/b19-13+
InChIKeyIDRVINKGPRQHRY-CPNJWEJPSA-N
MW341.35 g/mol
LogP2.21
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide

2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide (PubChem CID 135846281) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide
PubChem CID135846281
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide
SMILESCC/C(=N\NC(=O)Cn1nnc2ccccc21)c1cc(F)ccc1O
InChIInChI=1S/C17H16FN5O2/c1-2-13(12-9-11(18)7-8-16(12)24)19-21-17(25)10-23-15-6-4-3-5-14(15)20-22-23/h3-9,24H,2,10H2,1H3,(H,21,25)/b19-13+
InChIKeyIDRVINKGPRQHRY-CPNJWEJPSA-N
XLogP2.21
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.21
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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Related Compounds

2-(1H-1,2,3-Benzotriazol-1-ylmethyl)phenol
CID 3491594
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(3-(2-meo-PH)-2-propenylidene)propanohydrazide
CID 6866690
N-{(1Z)-2-[4-(diethylamino)-2-hydroxyphenyl]-1-azavinyl}-2-benzotriazolylaceta mide
CID 3627261
3-(1H-benzotriazol-1-yl)-N'-[(1E,2Z)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]propanehydrazide
CID 6866689
2-(benzotriazol-1-yl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135455138
3-(1H-1,2,3-benzotriazol-1-yl)-N'-(2-hydroxy-5-methoxybenzylidene)propanohydrazide
CID 135490295
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol
CID 3828526
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-((2-HO-1-naphthyl)methylene)propanohydrazide
CID 135479309
2-(1H-1,2,3-benzotriazol-1-yl)-N'-(3-methoxybenzylidene)propanohydrazide
CID 9647628
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(3-hydroxybenzylidene)propanohydrazide
CID 6867815
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(2-methoxybenzylidene)propanohydrazide
CID 6870726
(E)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N'-(5-bromo-2-hydroxybenzylidene)acetohydrazide
CID 135489048

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide (CID 135846281) is 2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide is CC/C(=N\NC(=O)Cn1nnc2ccccc21)c1cc(F)ccc1O.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide?
The InChIKey is IDRVINKGPRQHRY-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-2-13(12-9-11(18)7-8-16(12)24)19-21-17(25)10-23-15-6-4-3-5-14(15)20-22-23/h3-9,24H,2,10H2,1H3,(H,21,25)/b19-13+.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide?
2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide has a molecular weight of 341.35 g/mol, XLogP of 2.21, 5 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)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide is sourced from PubChem (CID 135846281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).