2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide

C15H12N4O2 — CID 3770861

IUPAC2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide
SMILESCN(C(=O)C(=O)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C15H12N4O2/c1-18(11-7-3-2-4-8-11)14(20)15(21)19-13-10-6-5-9-12(13)16-17-19/h2-10H,1H3
InChIKeyPWWBJUHQBSYGOV-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.73
Rot. Bonds1

About 2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide

2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide (PubChem CID 3770861) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide
PubChem CID3770861
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide
SMILESCN(C(=O)C(=O)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C15H12N4O2/c1-18(11-7-3-2-4-8-11)14(20)15(21)19-13-10-6-5-9-12(13)16-17-19/h2-10H,1H3
InChIKeyPWWBJUHQBSYGOV-UHFFFAOYSA-N
XLogP1.73
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-phenylbenzotriazole-1-carboxamide
CID 66688521
6-chloro-N-methyl-N-phenylbenzotriazole-1-carboxamide
CID 66682959
5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide
CID 66688318
2-(benzotriazol-1-yl)prop-2-enoic acid
CID 174497195
N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide
CID 136530360
4-[benzotriazol-1-yl(methyl)amino]benzoic acid
CID 70195823
N'-methylbenzotriazole-1-carboximidamide
CID 55282851
benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone
CID 690503
methyl (E)-3-(benzotriazol-1-yl)but-2-enoate
CID 121219039
(3S)-1-(benzotriazol-1-yl)-3-phenylbutan-1-one
CID 40567507
N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline
CID 6518439
N,1-dimethyl-N-phenylbenzimidazole-2-carboxamide
CID 110469037

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide (CID 3770861) is 2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide is CN(C(=O)C(=O)n1nnc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide?
The InChIKey is PWWBJUHQBSYGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-18(11-7-3-2-4-8-11)14(20)15(21)19-13-10-6-5-9-12(13)16-17-19/h2-10H,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide?
2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide has a molecular weight of 280.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide is sourced from PubChem (CID 3770861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).