2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide

C29H22F2N4O — CID 134149402

About 2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide

2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide (PubChem CID 134149402) has the molecular formula C29H22F2N4O and a molecular weight of 480.52 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide
• PubChem CID: 134149402
• Molecular Formula: C29H22F2N4O
• Molecular Weight: 480.52 g/mol
• Exact Mass: 480.18
• IUPAC Name: 2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide
• SMILES: O=C(Cc1c(F)cccc1F)Nc1cccc(Nc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
• InChI: InChI=1S/C29H22F2N4O/c30-25-10-5-11-26(31)24(25)18-29(36)33-21-9-4-8-20(16-21)32-22-13-14-23-27(34-35-28(23)17-22)15-12-19-6-2-1-3-7-19/h1-17,32H,18H2,(H,33,36)(H,34,35)/b15-12+
• InChIKey: KGAMFJOGMRRCKM-NTCAYCPXSA-N
• XLogP: 6.94
• TPSA: 69.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.52
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide?

The IUPAC name of 2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide (CID 134149402) is 2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide.

What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide?

The canonical SMILES for 2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide is O=C(Cc1c(F)cccc1F)Nc1cccc(Nc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1.

What is the InChIKey of 2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide?

The InChIKey is KGAMFJOGMRRCKM-NTCAYCPXSA-N. The full InChI is InChI=1S/C29H22F2N4O/c30-25-10-5-11-26(31)24(25)18-29(36)33-21-9-4-8-20(16-21)32-22-13-14-23-27(34-35-28(23)17-22)15-12-19-6-2-1-3-7-19/h1-17,32H,18H2,(H,33,36)(H,34,35)/b15-12+.

What are the key properties of 2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide?

2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide has a molecular weight of 480.52 g/mol, XLogP of 6.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide is sourced from PubChem (CID 134149402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).