3-(3-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C17H13FN2O2S — CID 44572202

IUPAC3-(3-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(Oc3cccc(F)c3)c2)n1
InChIInChI=1S/C17H13FN2O2S/c1-11-10-23-17(19-11)20-16(21)12-4-2-6-14(8-12)22-15-7-3-5-13(18)9-15/h2-10H,1H3,(H,19,20,21)
InChIKeyIAQKCWBVBNPUAB-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.64
Rot. Bonds4

About 3-(3-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

3-(3-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 44572202) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID44572202
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC Name3-(3-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(Oc3cccc(F)c3)c2)n1
InChIInChI=1S/C17H13FN2O2S/c1-11-10-23-17(19-11)20-16(21)12-4-2-6-14(8-12)22-15-7-3-5-13(18)9-15/h2-10H,1H3,(H,19,20,21)
InChIKeyIAQKCWBVBNPUAB-UHFFFAOYSA-N
XLogP4.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(3-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 44572202) is 3-(3-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(3-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(3-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cccc(Oc3cccc(F)c3)c2)n1.
What is the InChIKey of 3-(3-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is IAQKCWBVBNPUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c1-11-10-23-17(19-11)20-16(21)12-4-2-6-14(8-12)22-15-7-3-5-13(18)9-15/h2-10H,1H3,(H,19,20,21).
What are the key properties of 3-(3-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3-(3-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 328.37 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 44572202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).