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

C25H20F2N2O3S — CID 141216452

IUPAC2-[(3-fluorophenyl)methoxy]-N-[4-[(3-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(COCc2cccc(F)c2)cs1)c1ccccc1OCc1cccc(F)c1
InChIInChI=1S/C25H20F2N2O3S/c26-19-7-3-5-17(11-19)13-31-15-21-16-33-25(28-21)29-24(30)22-9-1-2-10-23(22)32-14-18-6-4-8-20(27)12-18/h1-12,16H,13-15H2,(H,28,29,30)
InChIKeyREZMVQZQKBCHNK-UHFFFAOYSA-N
MW466.51 g/mol
LogP5.97
Rot. Bonds9

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

2-[(3-fluorophenyl)methoxy]-N-[4-[(3-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 141216452) has the molecular formula C25H20F2N2O3S and a molecular weight of 466.51 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methoxy]-N-[4-[(3-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methoxy]-N-[4-[(3-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID141216452
Molecular FormulaC25H20F2N2O3S
Molecular Weight466.51 g/mol
Exact Mass466.12
IUPAC Name2-[(3-fluorophenyl)methoxy]-N-[4-[(3-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(COCc2cccc(F)c2)cs1)c1ccccc1OCc1cccc(F)c1
InChIInChI=1S/C25H20F2N2O3S/c26-19-7-3-5-17(11-19)13-31-15-21-16-33-25(28-21)29-24(30)22-9-1-2-10-23(22)32-14-18-6-4-8-20(27)12-18/h1-12,16H,13-15H2,(H,28,29,30)
InChIKeyREZMVQZQKBCHNK-UHFFFAOYSA-N
XLogP5.97
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methoxy]-N-[4-[(3-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-[(3-fluorophenyl)methoxy]-N-[4-[(3-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]benzamide (CID 141216452) is 2-[(3-fluorophenyl)methoxy]-N-[4-[(3-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methoxy]-N-[4-[(3-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-[(3-fluorophenyl)methoxy]-N-[4-[(3-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(COCc2cccc(F)c2)cs1)c1ccccc1OCc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methoxy]-N-[4-[(3-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is REZMVQZQKBCHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O3S/c26-19-7-3-5-17(11-19)13-31-15-21-16-33-25(28-21)29-24(30)22-9-1-2-10-23(22)32-14-18-6-4-8-20(27)12-18/h1-12,16H,13-15H2,(H,28,29,30).
What are the key properties of 2-[(3-fluorophenyl)methoxy]-N-[4-[(3-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]benzamide?
2-[(3-fluorophenyl)methoxy]-N-[4-[(3-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 466.51 g/mol, XLogP of 5.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methoxy]-N-[4-[(3-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 141216452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).