4-[(2,3,5,6-tetrafluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide

C17H10F4N2O2S — CID 2053510

IUPAC4-[(2,3,5,6-tetrafluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C17H10F4N2O2S/c18-11-7-12(19)14(21)15(13(11)20)25-8-9-1-3-10(4-2-9)16(24)23-17-22-5-6-26-17/h1-7H,8H2,(H,22,23,24)
InChIKeyBQKDPGHUCAYHOX-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.53
Rot. Bonds5

About 4-[(2,3,5,6-tetrafluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide

4-[(2,3,5,6-tetrafluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2053510) has the molecular formula C17H10F4N2O2S and a molecular weight of 382.34 g/mol. Its IUPAC name is 4-[(2,3,5,6-tetrafluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2,3,5,6-tetrafluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID2053510
Molecular FormulaC17H10F4N2O2S
Molecular Weight382.34 g/mol
Exact Mass382.04
IUPAC Name4-[(2,3,5,6-tetrafluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C17H10F4N2O2S/c18-11-7-12(19)14(21)15(13(11)20)25-8-9-1-3-10(4-2-9)16(24)23-17-22-5-6-26-17/h1-7H,8H2,(H,22,23,24)
InChIKeyBQKDPGHUCAYHOX-UHFFFAOYSA-N
XLogP4.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,5,6-tetrafluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(2,3,5,6-tetrafluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide (CID 2053510) is 4-[(2,3,5,6-tetrafluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2,3,5,6-tetrafluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2,3,5,6-tetrafluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1.
What is the InChIKey of 4-[(2,3,5,6-tetrafluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is BQKDPGHUCAYHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2O2S/c18-11-7-12(19)14(21)15(13(11)20)25-8-9-1-3-10(4-2-9)16(24)23-17-22-5-6-26-17/h1-7H,8H2,(H,22,23,24).
What are the key properties of 4-[(2,3,5,6-tetrafluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide?
4-[(2,3,5,6-tetrafluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 382.34 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,5,6-tetrafluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2053510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).