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

C23H16BrCl3N2O3 — CID 17318840

IUPACN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
SMILESCc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)c1Cl
InChIInChI=1S/C23H16BrCl3N2O3/c1-11-19(25)12(2)21(27)22(20(11)26)31-10-18(30)28-13-7-8-17-16(9-13)29-23(32-17)14-5-3-4-6-15(14)24/h3-9H,10H2,1-2H3,(H,28,30)
InChIKeyGIQDZFQTTQYHRQ-UHFFFAOYSA-N
MW554.66 g/mol
LogP7.85
Rot. Bonds5

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

N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide (PubChem CID 17318840) has the molecular formula C23H16BrCl3N2O3 and a molecular weight of 554.66 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
PubChem CID17318840
Molecular FormulaC23H16BrCl3N2O3
Molecular Weight554.66 g/mol
Exact Mass551.94
IUPAC NameN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
SMILESCc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)c1Cl
InChIInChI=1S/C23H16BrCl3N2O3/c1-11-19(25)12(2)21(27)22(20(11)26)31-10-18(30)28-13-7-8-17-16(9-13)29-23(32-17)14-5-3-4-6-15(14)24/h3-9H,10H2,1-2H3,(H,28,30)
InChIKeyGIQDZFQTTQYHRQ-UHFFFAOYSA-N
XLogP7.85
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.66
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17318807
N-(2-phenyl-1,3-benzoxazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17117072
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
2-(2,4-dibromo-6-methylphenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 23828133
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17318649
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 21213263
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 43914820
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 23824736
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 17110936
2-(4-methoxyphenoxy)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348668
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide
CID 23731964

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide (CID 17318840) is N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[2-(2-bromophenyl)-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(-c4ccccc4Br)nc3c2)c1Cl.
What is the InChIKey of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The InChIKey is GIQDZFQTTQYHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrCl3N2O3/c1-11-19(25)12(2)21(27)22(20(11)26)31-10-18(30)28-13-7-8-17-16(9-13)29-23(32-17)14-5-3-4-6-15(14)24/h3-9H,10H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide has a molecular weight of 554.66 g/mol, XLogP of 7.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 17318840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).