3-(4-fluorophenoxy)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide

C20H15FN4O2S — CID 122275756

IUPAC3-(4-fluorophenoxy)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C20H15FN4O2S/c21-15-4-6-18(7-5-15)27-19-3-1-2-14(10-19)20(26)22-11-16-12-25(24-23-16)17-8-9-28-13-17/h1-10,12-13H,11H2,(H,22,26)
InChIKeyLHVQXDIRDREGSG-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.19
Rot. Bonds6

About 3-(4-fluorophenoxy)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide

3-(4-fluorophenoxy)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide (PubChem CID 122275756) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
PubChem CID122275756
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC Name3-(4-fluorophenoxy)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C20H15FN4O2S/c21-15-4-6-18(7-5-15)27-19-3-1-2-14(10-19)20(26)22-11-16-12-25(24-23-16)17-8-9-28-13-17/h1-10,12-13H,11H2,(H,22,26)
InChIKeyLHVQXDIRDREGSG-UHFFFAOYSA-N
XLogP4.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide (CID 122275756) is 3-(4-fluorophenoxy)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide is O=C(NCc1cn(-c2ccsc2)nn1)c1cccc(Oc2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
The InChIKey is LHVQXDIRDREGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c21-15-4-6-18(7-5-15)27-19-3-1-2-14(10-19)20(26)22-11-16-12-25(24-23-16)17-8-9-28-13-17/h1-10,12-13H,11H2,(H,22,26).
What are the key properties of 3-(4-fluorophenoxy)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
3-(4-fluorophenoxy)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide has a molecular weight of 394.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 122275756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).