2,6-difluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide

C22H16F2N4O2 — CID 4227880

IUPAC2,6-difluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
SMILESCOc1ccc(-c2cnnn2-c2ccc(NC(=O)c3c(F)cccc3F)cc2)cc1
InChIInChI=1S/C22H16F2N4O2/c1-30-17-11-5-14(6-12-17)20-13-25-27-28(20)16-9-7-15(8-10-16)26-22(29)21-18(23)3-2-4-19(21)24/h2-13H,1H3,(H,26,29)
InChIKeyXBVUYAVDHORVKA-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.47
Rot. Bonds5

About 2,6-difluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide

2,6-difluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide (PubChem CID 4227880) has the molecular formula C22H16F2N4O2 and a molecular weight of 406.39 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
PubChem CID4227880
Molecular FormulaC22H16F2N4O2
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC Name2,6-difluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
SMILESCOc1ccc(-c2cnnn2-c2ccc(NC(=O)c3c(F)cccc3F)cc2)cc1
InChIInChI=1S/C22H16F2N4O2/c1-30-17-11-5-14(6-12-17)20-13-25-27-28(20)16-9-7-15(8-10-16)26-22(29)21-18(23)3-2-4-19(21)24/h2-13H,1H3,(H,26,29)
InChIKeyXBVUYAVDHORVKA-UHFFFAOYSA-N
XLogP4.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-difluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide (CID 4227880) is 2,6-difluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide is COc1ccc(-c2cnnn2-c2ccc(NC(=O)c3c(F)cccc3F)cc2)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide?
The InChIKey is XBVUYAVDHORVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O2/c1-30-17-11-5-14(6-12-17)20-13-25-27-28(20)16-9-7-15(8-10-16)26-22(29)21-18(23)3-2-4-19(21)24/h2-13H,1H3,(H,26,29).
What are the key properties of 2,6-difluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide has a molecular weight of 406.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 4227880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).