2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide

C25H22Cl2N2O3 — CID 23096495

IUPAC2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1
InChIInChI=1S/C25H22Cl2N2O3/c1-3-15(2)16-4-8-19(9-5-16)31-14-24(30)28-21-12-17(6-10-20(21)27)25-29-22-13-18(26)7-11-23(22)32-25/h4-13,15H,3,14H2,1-2H3,(H,28,30)
InChIKeyDCNXTXRTAASEIF-UHFFFAOYSA-N
MW469.37 g/mol
LogP7.33
Rot. Bonds7

About 2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide

2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 23096495) has the molecular formula C25H22Cl2N2O3 and a molecular weight of 469.37 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID23096495
Molecular FormulaC25H22Cl2N2O3
Molecular Weight469.37 g/mol
Exact Mass468.10
IUPAC Name2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1
InChIInChI=1S/C25H22Cl2N2O3/c1-3-15(2)16-4-8-19(9-5-16)31-14-24(30)28-21-12-17(6-10-20(21)27)25-29-22-13-18(26)7-11-23(22)32-25/h4-13,15H,3,14H2,1-2H3,(H,28,30)
InChIKeyDCNXTXRTAASEIF-UHFFFAOYSA-N
XLogP7.33
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.37
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide with MolForge

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Related Compounds

2-(4-bromophenoxy)-N-[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-chlorophenyl]acetamide
CID 2067139
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 3996147
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 3386138
2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 22782318
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 3502962
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 40666697
N-[[5-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-chlorophenyl]carbamothioyl]-2-phenoxyacetamide
CID 2065779
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 23847828
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17110485
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 1160093
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 2271656
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1333954

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 23096495) is 2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide is CCC(C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is DCNXTXRTAASEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N2O3/c1-3-15(2)16-4-8-19(9-5-16)31-14-24(30)28-21-12-17(6-10-20(21)27)25-29-22-13-18(26)7-11-23(22)32-25/h4-13,15H,3,14H2,1-2H3,(H,28,30).
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide?
2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 469.37 g/mol, XLogP of 7.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 23096495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).