2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide

C15H9Cl3N2O2 — CID 35532893

IUPAC2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3N2O2/c16-9-5-11(18)13(6-10(9)17)19-15(21)7-12-8-3-1-2-4-14(8)22-20-12/h1-6H,7H2,(H,19,21)
InChIKeyZYYREENRGINECW-UHFFFAOYSA-N
MW355.61 g/mol
LogP4.97
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 35532893) has the molecular formula C15H9Cl3N2O2 and a molecular weight of 355.61 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID35532893
Molecular FormulaC15H9Cl3N2O2
Molecular Weight355.61 g/mol
Exact Mass353.97
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3N2O2/c16-9-5-11(18)13(6-10(9)17)19-15(21)7-12-8-3-1-2-4-14(8)22-20-12/h1-6H,7H2,(H,19,21)
InChIKeyZYYREENRGINECW-UHFFFAOYSA-N
XLogP4.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.61
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 29042375
2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide
CID 122147988
2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide
CID 81260654
2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9162813
2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide
CID 1235388
2-(1,2-benzoxazol-3-yl)-N-(2-methoxyphenyl)acetamide
CID 1235350
2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide
CID 155949741
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide
CID 102820520
2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 64781445

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide (CID 35532893) is 2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide is O=C(Cc1noc2ccccc12)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is ZYYREENRGINECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2O2/c16-9-5-11(18)13(6-10(9)17)19-15(21)7-12-8-3-1-2-4-14(8)22-20-12/h1-6H,7H2,(H,19,21).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 355.61 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 35532893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).