2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C18H14Cl2N2O2S — CID 108751372

IUPAC2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)COc3cc(Cl)ccc3Cl)cc2)cs1
InChIInChI=1S/C18H14Cl2N2O2S/c1-11-21-16(10-25-11)12-2-5-14(6-3-12)22-18(23)9-24-17-8-13(19)4-7-15(17)20/h2-8,10H,9H2,1H3,(H,22,23)
InChIKeyXOPCCMDVNMHIPC-UHFFFAOYSA-N
MW393.30 g/mol
LogP5.44
Rot. Bonds5

About 2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 108751372) has the molecular formula C18H14Cl2N2O2S and a molecular weight of 393.30 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID108751372
Molecular FormulaC18H14Cl2N2O2S
Molecular Weight393.30 g/mol
Exact Mass392.02
IUPAC Name2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)COc3cc(Cl)ccc3Cl)cc2)cs1
InChIInChI=1S/C18H14Cl2N2O2S/c1-11-21-16(10-25-11)12-2-5-14(6-3-12)22-18(23)9-24-17-8-13(19)4-7-15(17)20/h2-8,10H,9H2,1H3,(H,22,23)
InChIKeyXOPCCMDVNMHIPC-UHFFFAOYSA-N
XLogP5.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.30
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8534213
2-(2-ethoxyphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27167216
2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178578
2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108770123
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
4-(5-chloro-2-methoxyphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
CID 108727349
2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8891121
2-(2,5-dichlorophenoxy)-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 46518487
N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 724281
propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 7185050
2-(2,5-dichlorophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7185406
2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 18230517

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 108751372) is 2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1nc(-c2ccc(NC(=O)COc3cc(Cl)ccc3Cl)cc2)cs1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is XOPCCMDVNMHIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2S/c1-11-21-16(10-25-11)12-2-5-14(6-3-12)22-18(23)9-24-17-8-13(19)4-7-15(17)20/h2-8,10H,9H2,1H3,(H,22,23).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 393.30 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 108751372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).