N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide

C15H12N4O2 — CID 3356312

IUPACN-[2-(benzotriazole-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C(=O)n1nnc2ccccc21
InChIInChI=1S/C15H12N4O2/c1-10(20)16-12-7-3-2-6-11(12)15(21)19-14-9-5-4-8-13(14)17-18-19/h2-9H,1H3,(H,16,20)
InChIKeyWXCGXSDIRJXNEQ-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.08
Rot. Bonds2

About N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide

N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide (PubChem CID 3356312) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(benzotriazole-1-carbonyl)phenyl]acetamide
PubChem CID3356312
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-[2-(benzotriazole-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C(=O)n1nnc2ccccc21
InChIInChI=1S/C15H12N4O2/c1-10(20)16-12-7-3-2-6-11(12)15(21)19-14-9-5-4-8-13(14)17-18-19/h2-9H,1H3,(H,16,20)
InChIKeyWXCGXSDIRJXNEQ-UHFFFAOYSA-N
XLogP2.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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benzotriazol-1-yl-(5-methylfuran-2-yl)methanone
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methyl (E)-3-(benzotriazol-1-yl)but-2-enoate
CID 121219039
methyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate
CID 121304473
benzotriazol-1-yl-(3,5-dichlorophenyl)methanone
CID 146164024
[2-(benzotriazole-1-carbonyl)-4,6-dibromophenyl] acetate
CID 4636234
benzotriazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
CID 4954258
(2-amino-4-chlorophenyl)-(benzotriazol-1-yl)methanone
CID 134859829
N-[3-(benzotriazol-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 4796162
2-(benzotriazol-1-yl)prop-2-enoic acid
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benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone
CID 690503

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide (CID 3356312) is N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide is CC(=O)Nc1ccccc1C(=O)n1nnc2ccccc21.
What is the InChIKey of N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide?
The InChIKey is WXCGXSDIRJXNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-10(20)16-12-7-3-2-6-11(12)15(21)19-14-9-5-4-8-13(14)17-18-19/h2-9H,1H3,(H,16,20).
What are the key properties of N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide?
N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide has a molecular weight of 280.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 3356312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).