N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide

C23H17Cl3N2O3 — CID 17117072

IUPACN-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
SMILESCc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1Cl
InChIInChI=1S/C23H17Cl3N2O3/c1-12-19(24)13(2)21(26)22(20(12)25)30-11-18(29)27-15-8-9-17-16(10-15)28-23(31-17)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,27,29)
InChIKeyGWUKJBDSUAKOCD-UHFFFAOYSA-N
MW475.76 g/mol
LogP7.09
Rot. Bonds5

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

N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide (PubChem CID 17117072) has the molecular formula C23H17Cl3N2O3 and a molecular weight of 475.76 g/mol. Its IUPAC name is N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
PubChem CID17117072
Molecular FormulaC23H17Cl3N2O3
Molecular Weight475.76 g/mol
Exact Mass474.03
IUPAC NameN-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
SMILESCc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1Cl
InChIInChI=1S/C23H17Cl3N2O3/c1-12-19(24)13(2)21(26)22(20(12)25)30-11-18(29)27-15-8-9-17-16(10-15)28-23(31-17)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,27,29)
InChIKeyGWUKJBDSUAKOCD-UHFFFAOYSA-N
XLogP7.09
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.76
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17117124
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17117086
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17318840
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17318807
2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1335782
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 23824736
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17116907
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
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013315
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17318649

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide (CID 17117072) is N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide is Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1Cl.
What is the InChIKey of N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The InChIKey is GWUKJBDSUAKOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3N2O3/c1-12-19(24)13(2)21(26)22(20(12)25)30-11-18(29)27-15-8-9-17-16(10-15)28-23(31-17)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,27,29).
What are the key properties of N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide has a molecular weight of 475.76 g/mol, XLogP of 7.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 17117072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).