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

C24H19FN2O3S — CID 141216443

IUPAC5-[(3-fluorophenyl)methoxy]-2-phenylmethoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(OCc2cccc(F)c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H19FN2O3S/c25-19-8-4-7-18(13-19)16-29-20-9-10-22(30-15-17-5-2-1-3-6-17)21(14-20)23(28)27-24-26-11-12-31-24/h1-14H,15-16H2,(H,26,27,28)
InChIKeyOZLCPRLXNMAFKX-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.69
Rot. Bonds8

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

5-[(3-fluorophenyl)methoxy]-2-phenylmethoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 141216443) has the molecular formula C24H19FN2O3S and a molecular weight of 434.49 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methoxy]-2-phenylmethoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methoxy]-2-phenylmethoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID141216443
Molecular FormulaC24H19FN2O3S
Molecular Weight434.49 g/mol
Exact Mass434.11
IUPAC Name5-[(3-fluorophenyl)methoxy]-2-phenylmethoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(OCc2cccc(F)c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H19FN2O3S/c25-19-8-4-7-18(13-19)16-29-20-9-10-22(30-15-17-5-2-1-3-6-17)21(14-20)23(28)27-24-26-11-12-31-24/h1-14H,15-16H2,(H,26,27,28)
InChIKeyOZLCPRLXNMAFKX-UHFFFAOYSA-N
XLogP5.69
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methoxy]-2-phenylmethoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-[(3-fluorophenyl)methoxy]-2-phenylmethoxy-N-(1,3-thiazol-2-yl)benzamide (CID 141216443) is 5-[(3-fluorophenyl)methoxy]-2-phenylmethoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-[(3-fluorophenyl)methoxy]-2-phenylmethoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-[(3-fluorophenyl)methoxy]-2-phenylmethoxy-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1cc(OCc2cccc(F)c2)ccc1OCc1ccccc1.
What is the InChIKey of 5-[(3-fluorophenyl)methoxy]-2-phenylmethoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is OZLCPRLXNMAFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3S/c25-19-8-4-7-18(13-19)16-29-20-9-10-22(30-15-17-5-2-1-3-6-17)21(14-20)23(28)27-24-26-11-12-31-24/h1-14H,15-16H2,(H,26,27,28).
What are the key properties of 5-[(3-fluorophenyl)methoxy]-2-phenylmethoxy-N-(1,3-thiazol-2-yl)benzamide?
5-[(3-fluorophenyl)methoxy]-2-phenylmethoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 434.49 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methoxy]-2-phenylmethoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 141216443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).