2-(benzotriazol-1-yl)-N-(2-nitrophenyl)acetamide

C14H11N5O3 — CID 3165284

IUPAC2-(benzotriazol-1-yl)-N-(2-nitrophenyl)acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11N5O3/c20-14(15-10-5-1-4-8-13(10)19(21)22)9-18-12-7-3-2-6-11(12)16-17-18/h1-8H,9H2,(H,15,20)
InChIKeyFSLNTHRHOBKMIG-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.98
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-(2-nitrophenyl)acetamide

2-(benzotriazol-1-yl)-N-(2-nitrophenyl)acetamide (PubChem CID 3165284) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(2-nitrophenyl)acetamide
PubChem CID3165284
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC Name2-(benzotriazol-1-yl)-N-(2-nitrophenyl)acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11N5O3/c20-14(15-10-5-1-4-8-13(10)19(21)22)9-18-12-7-3-2-6-11(12)16-17-18/h1-8H,9H2,(H,15,20)
InChIKeyFSLNTHRHOBKMIG-UHFFFAOYSA-N
XLogP1.98
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-1-yl)-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(2-nitrophenyl)acetamide (CID 3165284) is 2-(benzotriazol-1-yl)-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(2-nitrophenyl)acetamide is O=C(Cn1nnc2ccccc21)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(2-nitrophenyl)acetamide?
The InChIKey is FSLNTHRHOBKMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3/c20-14(15-10-5-1-4-8-13(10)19(21)22)9-18-12-7-3-2-6-11(12)16-17-18/h1-8H,9H2,(H,15,20).
What are the key properties of 2-(benzotriazol-1-yl)-N-(2-nitrophenyl)acetamide?
2-(benzotriazol-1-yl)-N-(2-nitrophenyl)acetamide has a molecular weight of 297.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 3165284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).