N-[4-[[(4-phenoxy-1H-indazol-3-yl)amino]methyl]phenyl]acetamide

C22H20N4O2 — CID 11257276

IUPACN-[4-[[(4-phenoxy-1H-indazol-3-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2n[nH]c3cccc(Oc4ccccc4)c23)cc1
InChIInChI=1S/C22H20N4O2/c1-15(27)24-17-12-10-16(11-13-17)14-23-22-21-19(25-26-22)8-5-9-20(21)28-18-6-3-2-4-7-18/h2-13H,14H2,1H3,(H,24,27)(H2,23,25,26)
InChIKeyDIIUYUOQKGXCLD-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.93
Rot. Bonds6

About N-[4-[[(4-phenoxy-1H-indazol-3-yl)amino]methyl]phenyl]acetamide

N-[4-[[(4-phenoxy-1H-indazol-3-yl)amino]methyl]phenyl]acetamide (PubChem CID 11257276) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[4-[[(4-phenoxy-1H-indazol-3-yl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4-phenoxy-1H-indazol-3-yl)amino]methyl]phenyl]acetamide
PubChem CID11257276
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[4-[[(4-phenoxy-1H-indazol-3-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2n[nH]c3cccc(Oc4ccccc4)c23)cc1
InChIInChI=1S/C22H20N4O2/c1-15(27)24-17-12-10-16(11-13-17)14-23-22-21-19(25-26-22)8-5-9-20(21)28-18-6-3-2-4-7-18/h2-13H,14H2,1H3,(H,24,27)(H2,23,25,26)
InChIKeyDIIUYUOQKGXCLD-UHFFFAOYSA-N
XLogP4.93
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-phenoxy-1H-indazol-3-yl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4-phenoxy-1H-indazol-3-yl)amino]methyl]phenyl]acetamide (CID 11257276) is N-[4-[[(4-phenoxy-1H-indazol-3-yl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4-phenoxy-1H-indazol-3-yl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4-phenoxy-1H-indazol-3-yl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2n[nH]c3cccc(Oc4ccccc4)c23)cc1.
What is the InChIKey of N-[4-[[(4-phenoxy-1H-indazol-3-yl)amino]methyl]phenyl]acetamide?
The InChIKey is DIIUYUOQKGXCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15(27)24-17-12-10-16(11-13-17)14-23-22-21-19(25-26-22)8-5-9-20(21)28-18-6-3-2-4-7-18/h2-13H,14H2,1H3,(H,24,27)(H2,23,25,26).
What are the key properties of N-[4-[[(4-phenoxy-1H-indazol-3-yl)amino]methyl]phenyl]acetamide?
N-[4-[[(4-phenoxy-1H-indazol-3-yl)amino]methyl]phenyl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-phenoxy-1H-indazol-3-yl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 11257276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).