4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide

C17H13ClN2O2S — CID 8814256

IUPAC4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C17H13ClN2O2S/c18-15-4-2-1-3-13(15)11-22-14-7-5-12(6-8-14)16(21)20-17-19-9-10-23-17/h1-10H,11H2,(H,19,20,21)
InChIKeyKVXZPXPGIIONQB-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.63
Rot. Bonds5

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

4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 8814256) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID8814256
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C17H13ClN2O2S/c18-15-4-2-1-3-13(15)11-22-14-7-5-12(6-8-14)16(21)20-17-19-9-10-23-17/h1-10H,11H2,(H,19,20,21)
InChIKeyKVXZPXPGIIONQB-UHFFFAOYSA-N
XLogP4.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide (CID 8814256) is 4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is KVXZPXPGIIONQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c18-15-4-2-1-3-13(15)11-22-14-7-5-12(6-8-14)16(21)20-17-19-9-10-23-17/h1-10H,11H2,(H,19,20,21).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide?
4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 344.82 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 8814256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).