4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C18H15ClN2O2S — CID 145489062

IUPAC4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)n1
InChIInChI=1S/C18H15ClN2O2S/c1-12-11-24-18(20-12)21-17(22)14-8-6-13(7-9-14)10-23-16-5-3-2-4-15(16)19/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyVNIAFXBXTRDXMQ-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.94
Rot. Bonds5

About 4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 145489062) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID145489062
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)n1
InChIInChI=1S/C18H15ClN2O2S/c1-12-11-24-18(20-12)21-17(22)14-8-6-13(7-9-14)10-23-16-5-3-2-4-15(16)19/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyVNIAFXBXTRDXMQ-UHFFFAOYSA-N
XLogP4.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 145489062) is 4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)n1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is VNIAFXBXTRDXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-12-11-24-18(20-12)21-17(22)14-8-6-13(7-9-14)10-23-16-5-3-2-4-15(16)19/h2-9,11H,10H2,1H3,(H,20,21,22).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 358.85 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 145489062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).