2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C18H14Cl2N2O2S — CID 2461029

IUPAC2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C18H14Cl2N2O2S/c1-11-9-21-18(25-11)22-17(23)14-4-2-3-5-16(14)24-10-12-6-7-13(19)8-15(12)20/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeySVKIARQODZZHAW-UHFFFAOYSA-N
MW393.30 g/mol
LogP5.59
Rot. Bonds5

About 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide

2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2461029) has the molecular formula C18H14Cl2N2O2S and a molecular weight of 393.30 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID2461029
Molecular FormulaC18H14Cl2N2O2S
Molecular Weight393.30 g/mol
Exact Mass392.02
IUPAC Name2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C18H14Cl2N2O2S/c1-11-9-21-18(25-11)22-17(23)14-4-2-3-5-16(14)24-10-12-6-7-13(19)8-15(12)20/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeySVKIARQODZZHAW-UHFFFAOYSA-N
XLogP5.59
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 ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 2461029) is 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1cnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is SVKIARQODZZHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2S/c1-11-9-21-18(25-11)22-17(23)14-4-2-3-5-16(14)24-10-12-6-7-13(19)8-15(12)20/h2-9H,10H2,1H3,(H,21,22,23).
What are the key properties of 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 393.30 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2461029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).