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

C24H18ClFN2O3S — CID 141216522

IUPAC2-[(4-chlorophenyl)methoxy]-5-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(OCc2cccc(F)c2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H18ClFN2O3S/c25-18-6-4-16(5-7-18)14-31-22-9-8-20(30-15-17-2-1-3-19(26)12-17)13-21(22)23(29)28-24-27-10-11-32-24/h1-13H,14-15H2,(H,27,28,29)
InChIKeyWMWLSSFWBQUPOV-UHFFFAOYSA-N
MW468.94 g/mol
LogP6.35
Rot. Bonds8

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

2-[(4-chlorophenyl)methoxy]-5-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 141216522) has the molecular formula C24H18ClFN2O3S and a molecular weight of 468.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-5-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-5-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID141216522
Molecular FormulaC24H18ClFN2O3S
Molecular Weight468.94 g/mol
Exact Mass468.07
IUPAC Name2-[(4-chlorophenyl)methoxy]-5-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(OCc2cccc(F)c2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H18ClFN2O3S/c25-18-6-4-16(5-7-18)14-31-22-9-8-20(30-15-17-2-1-3-19(26)12-17)13-21(22)23(29)28-24-27-10-11-32-24/h1-13H,14-15H2,(H,27,28,29)
InChIKeyWMWLSSFWBQUPOV-UHFFFAOYSA-N
XLogP6.35
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.94
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-5-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-5-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide (CID 141216522) is 2-[(4-chlorophenyl)methoxy]-5-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-5-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-5-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1cc(OCc2cccc(F)c2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-5-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is WMWLSSFWBQUPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O3S/c25-18-6-4-16(5-7-18)14-31-22-9-8-20(30-15-17-2-1-3-19(26)12-17)13-21(22)23(29)28-24-27-10-11-32-24/h1-13H,14-15H2,(H,27,28,29).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-5-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide?
2-[(4-chlorophenyl)methoxy]-5-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 468.94 g/mol, XLogP of 6.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-5-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 141216522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).