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

C16H14FN5O2 — CID 135846283

IUPAC2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cn1nnc2ccccc21)c1cc(F)ccc1O
InChIInChI=1S/C16H14FN5O2/c1-10(12-8-11(17)6-7-15(12)23)18-20-16(24)9-22-14-5-3-2-4-13(14)19-21-22/h2-8,23H,9H2,1H3,(H,20,24)/b18-10+
InChIKeyLHWCBKPNBRSIKT-VCHYOVAHSA-N
MW327.32 g/mol
LogP1.82
Rot. Bonds4

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

2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 135846283) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID135846283
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cn1nnc2ccccc21)c1cc(F)ccc1O
InChIInChI=1S/C16H14FN5O2/c1-10(12-8-11(17)6-7-15(12)23)18-20-16(24)9-22-14-5-3-2-4-13(14)19-21-22/h2-8,23H,9H2,1H3,(H,20,24)/b18-10+
InChIKeyLHWCBKPNBRSIKT-VCHYOVAHSA-N
XLogP1.82
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.82
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-methylphenol
CID 3696191
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-((2-HO-1-naphthyl)methylene)propanohydrazide
CID 135479309
2-[1-(1H-1,2,3-Benzotriazol-1-yl)ethyl]-6-methylphenol
CID 3803619
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)ethylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide (CID 135846283) is 2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide is C/C(=N\NC(=O)Cn1nnc2ccccc21)c1cc(F)ccc1O.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is LHWCBKPNBRSIKT-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-10(12-8-11(17)6-7-15(12)23)18-20-16(24)9-22-14-5-3-2-4-13(14)19-21-22/h2-8,23H,9H2,1H3,(H,20,24)/b18-10+.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide?
2-(benzotriazol-1-yl)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 327.32 g/mol, XLogP of 1.82, 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)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 135846283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).