2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide

C22H16Br2N2O3 — CID 23824736

IUPAC2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H16Br2N2O3/c1-13-9-15(23)10-17(24)21(13)28-12-20(27)25-16-7-8-19-18(11-16)26-22(29-19)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,25,27)
InChIKeyJZXDJLRYUBQUGC-UHFFFAOYSA-N
MW516.19 g/mol
LogP6.35
Rot. Bonds5

About 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide

2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 23824736) has the molecular formula C22H16Br2N2O3 and a molecular weight of 516.19 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
PubChem CID23824736
Molecular FormulaC22H16Br2N2O3
Molecular Weight516.19 g/mol
Exact Mass513.95
IUPAC Name2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H16Br2N2O3/c1-13-9-15(23)10-17(24)21(13)28-12-20(27)25-16-7-8-19-18(11-16)26-22(29-19)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,25,27)
InChIKeyJZXDJLRYUBQUGC-UHFFFAOYSA-N
XLogP6.35
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.19
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dibromo-6-methylphenoxy)-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17127644
2-(2,4-dibromo-6-methylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 23828133
N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4634186
N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17117072
2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1335782
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide
CID 17163260
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
2-(4-bromophenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 5241506
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17318840
N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-2-yloxyacetamide
CID 2281677
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17092656
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 43914820

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide (CID 23824736) is 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide is Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1.
What is the InChIKey of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is JZXDJLRYUBQUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Br2N2O3/c1-13-9-15(23)10-17(24)21(13)28-12-20(27)25-16-7-8-19-18(11-16)26-22(29-19)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,25,27).
What are the key properties of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 516.19 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 23824736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).