2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide

C15H10BrClN2O2 — CID 81260654

IUPAC2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C15H10BrClN2O2/c16-11-6-5-9(17)7-13(11)18-15(20)8-12-10-3-1-2-4-14(10)21-19-12/h1-7H,8H2,(H,18,20)
InChIKeySWSWOKQRSOWURU-UHFFFAOYSA-N
MW365.61 g/mol
LogP4.42
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide (PubChem CID 81260654) has the molecular formula C15H10BrClN2O2 and a molecular weight of 365.61 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide
PubChem CID81260654
Molecular FormulaC15H10BrClN2O2
Molecular Weight365.61 g/mol
Exact Mass363.96
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C15H10BrClN2O2/c16-11-6-5-9(17)7-13(11)18-15(20)8-12-10-3-1-2-4-14(10)21-19-12/h1-7H,8H2,(H,18,20)
InChIKeySWSWOKQRSOWURU-UHFFFAOYSA-N
XLogP4.42
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 35532893
N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 29042375
2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide
CID 1235388
2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide
CID 102820520
2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9162813
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-methoxyphenyl)acetamide
CID 1235350
2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 51217461
2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 64781445
2-(1,2-benzoxazol-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 84948325
N-(5-chloro-2-phenoxyphenyl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108792137
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide (CID 81260654) is 2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide is O=C(Cc1noc2ccccc12)Nc1cc(Cl)ccc1Br.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide?
The InChIKey is SWSWOKQRSOWURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2/c16-11-6-5-9(17)7-13(11)18-15(20)8-12-10-3-1-2-4-14(10)21-19-12/h1-7H,8H2,(H,18,20).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide has a molecular weight of 365.61 g/mol, XLogP of 4.42, 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-bromo-5-chlorophenyl)acetamide is sourced from PubChem (CID 81260654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).