2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide

C15H13FN4O2 — CID 47018917

IUPAC2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(COn1nnc2ccccc21)NCc1ccccc1F
InChIInChI=1S/C15H13FN4O2/c16-12-6-2-1-5-11(12)9-17-15(21)10-22-20-14-8-4-3-7-13(14)18-19-20/h1-8H,9-10H2,(H,17,21)
InChIKeyRCHZNSXWFCEPRB-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.32
Rot. Bonds5

About 2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide

2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 47018917) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID47018917
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(COn1nnc2ccccc21)NCc1ccccc1F
InChIInChI=1S/C15H13FN4O2/c16-12-6-2-1-5-11(12)9-17-15(21)10-22-20-14-8-4-3-7-13(14)18-19-20/h1-8H,9-10H2,(H,17,21)
InChIKeyRCHZNSXWFCEPRB-UHFFFAOYSA-N
XLogP1.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39430248
N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604909
2-(3,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 9196943
2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide
CID 7668396
N-[(2-fluorophenyl)methyl]-2-quinolin-6-yloxyacetamide
CID 112978602
methyl 3-[2-(2-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706094
2-(2-aminophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 16781117
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
N-(4-aminobutyl)-N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride
CID 134134296
2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 43465750
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246
N-[(2-fluorophenyl)methyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 18097813

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide (CID 47018917) is 2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide is O=C(COn1nnc2ccccc21)NCc1ccccc1F.
What is the InChIKey of 2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is RCHZNSXWFCEPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-12-6-2-1-5-11(12)9-17-15(21)10-22-20-14-8-4-3-7-13(14)18-19-20/h1-8H,9-10H2,(H,17,21).
What are the key properties of 2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide?
2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 300.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 47018917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).