2,6-difluoro-N-[3-[methyl-(6-methyl-1H-indazol-5-yl)amino]phenyl]benzamide

C22H18F2N4O — CID 54596196

IUPAC2,6-difluoro-N-[3-[methyl-(6-methyl-1H-indazol-5-yl)amino]phenyl]benzamide
SMILESCc1cc2[nH]ncc2cc1N(C)c1cccc(NC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C22H18F2N4O/c1-13-9-19-14(12-25-27-19)10-20(13)28(2)16-6-3-5-15(11-16)26-22(29)21-17(23)7-4-8-18(21)24/h3-12H,1-2H3,(H,25,27)(H,26,29)
InChIKeyAMNOVSGQOLTKAV-UHFFFAOYSA-N
MW392.41 g/mol
LogP5.17
Rot. Bonds4

About 2,6-difluoro-N-[3-[methyl-(6-methyl-1H-indazol-5-yl)amino]phenyl]benzamide

2,6-difluoro-N-[3-[methyl-(6-methyl-1H-indazol-5-yl)amino]phenyl]benzamide (PubChem CID 54596196) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-[methyl-(6-methyl-1H-indazol-5-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[3-[methyl-(6-methyl-1H-indazol-5-yl)amino]phenyl]benzamide
PubChem CID54596196
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name2,6-difluoro-N-[3-[methyl-(6-methyl-1H-indazol-5-yl)amino]phenyl]benzamide
SMILESCc1cc2[nH]ncc2cc1N(C)c1cccc(NC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C22H18F2N4O/c1-13-9-19-14(12-25-27-19)10-20(13)28(2)16-6-3-5-15(11-16)26-22(29)21-17(23)7-4-8-18(21)24/h3-12H,1-2H3,(H,25,27)(H,26,29)
InChIKeyAMNOVSGQOLTKAV-UHFFFAOYSA-N
XLogP5.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.41
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-[methyl-(6-methyl-1H-indazol-5-yl)amino]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[3-[methyl-(6-methyl-1H-indazol-5-yl)amino]phenyl]benzamide (CID 54596196) is 2,6-difluoro-N-[3-[methyl-(6-methyl-1H-indazol-5-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[3-[methyl-(6-methyl-1H-indazol-5-yl)amino]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[3-[methyl-(6-methyl-1H-indazol-5-yl)amino]phenyl]benzamide is Cc1cc2[nH]ncc2cc1N(C)c1cccc(NC(=O)c2c(F)cccc2F)c1.
What is the InChIKey of 2,6-difluoro-N-[3-[methyl-(6-methyl-1H-indazol-5-yl)amino]phenyl]benzamide?
The InChIKey is AMNOVSGQOLTKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O/c1-13-9-19-14(12-25-27-19)10-20(13)28(2)16-6-3-5-15(11-16)26-22(29)21-17(23)7-4-8-18(21)24/h3-12H,1-2H3,(H,25,27)(H,26,29).
What are the key properties of 2,6-difluoro-N-[3-[methyl-(6-methyl-1H-indazol-5-yl)amino]phenyl]benzamide?
2,6-difluoro-N-[3-[methyl-(6-methyl-1H-indazol-5-yl)amino]phenyl]benzamide has a molecular weight of 392.41 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-[methyl-(6-methyl-1H-indazol-5-yl)amino]phenyl]benzamide is sourced from PubChem (CID 54596196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).