3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide

C17H14F2N4O — CID 146152118

IUPAC3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1cc(-c2ccccc2)nn1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F2N4O/c18-14-7-6-13(10-15(14)19)17(24)20-8-9-23-11-16(21-22-23)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,20,24)
InChIKeyPPDWITJUOMHHNT-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.65
Rot. Bonds5

About 3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide

3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide (PubChem CID 146152118) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide
PubChem CID146152118
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1cc(-c2ccccc2)nn1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F2N4O/c18-14-7-6-13(10-15(14)19)17(24)20-8-9-23-11-16(21-22-23)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,20,24)
InChIKeyPPDWITJUOMHHNT-UHFFFAOYSA-N
XLogP2.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide (CID 146152118) is 3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide is O=C(NCCn1cc(-c2ccccc2)nn1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide?
The InChIKey is PPDWITJUOMHHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c18-14-7-6-13(10-15(14)19)17(24)20-8-9-23-11-16(21-22-23)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,20,24).
What are the key properties of 3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide?
3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide has a molecular weight of 328.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 146152118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).