2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide

C24H18Cl2N2O2S — CID 108770123

IUPAC2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCc1ccccc1-c1nc(-c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)cs1
InChIInChI=1S/C24H18Cl2N2O2S/c1-15-4-2-3-5-19(15)24-28-21(14-31-24)16-6-9-18(10-7-16)27-23(29)13-30-22-11-8-17(25)12-20(22)26/h2-12,14H,13H2,1H3,(H,27,29)
InChIKeySDHBLFNWZPNXIP-UHFFFAOYSA-N
MW469.39 g/mol
LogP7.11
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide

2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 108770123) has the molecular formula C24H18Cl2N2O2S and a molecular weight of 469.39 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID108770123
Molecular FormulaC24H18Cl2N2O2S
Molecular Weight469.39 g/mol
Exact Mass468.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCc1ccccc1-c1nc(-c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)cs1
InChIInChI=1S/C24H18Cl2N2O2S/c1-15-4-2-3-5-19(15)24-28-21(14-31-24)16-6-9-18(10-7-16)27-23(29)13-30-22-11-8-17(25)12-20(22)26/h2-12,14H,13H2,1H3,(H,27,29)
InChIKeySDHBLFNWZPNXIP-UHFFFAOYSA-N
XLogP7.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.39
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748059
2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108751372
2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 121148599
2-(2-chloro-4-fluorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8534213
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide
CID 108770118
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108770278
2-(4-bromophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748097
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide
CID 108748072
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 108811086
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide (CID 108770123) is 2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide is Cc1ccccc1-c1nc(-c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)cs1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is SDHBLFNWZPNXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O2S/c1-15-4-2-3-5-19(15)24-28-21(14-31-24)16-6-9-18(10-7-16)27-23(29)13-30-22-11-8-17(25)12-20(22)26/h2-12,14H,13H2,1H3,(H,27,29).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 469.39 g/mol, XLogP of 7.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 108770123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).