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

C22H19FN4O2 — CID 11269297

IUPACN-[4-[[[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2n[nH]c3cccc(Oc4ccc(F)cc4)c23)cc1
InChIInChI=1S/C22H19FN4O2/c1-14(28)25-17-9-5-15(6-10-17)13-24-22-21-19(26-27-22)3-2-4-20(21)29-18-11-7-16(23)8-12-18/h2-12H,13H2,1H3,(H,25,28)(H2,24,26,27)
InChIKeyAQKVGRZIJQKDMY-UHFFFAOYSA-N
MW390.42 g/mol
LogP5.06
Rot. Bonds6

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

N-[4-[[[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide (PubChem CID 11269297) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[4-[[[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide
PubChem CID11269297
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC NameN-[4-[[[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2n[nH]c3cccc(Oc4ccc(F)cc4)c23)cc1
InChIInChI=1S/C22H19FN4O2/c1-14(28)25-17-9-5-15(6-10-17)13-24-22-21-19(26-27-22)3-2-4-20(21)29-18-11-7-16(23)8-12-18/h2-12H,13H2,1H3,(H,25,28)(H2,24,26,27)
InChIKeyAQKVGRZIJQKDMY-UHFFFAOYSA-N
XLogP5.06
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.42
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
CID 55821168
N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]acetamide
CID 112983436
N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide
CID 43824322
N-[4-(2-aminophenoxy)phenyl]acetamide
CID 101461419
N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide
CID 79768829
N-[4-[[2-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112917711
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190534
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide
CID 112982446
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982473
N-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide
CID 154632633
2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 56685548

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide (CID 11269297) is N-[4-[[[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2n[nH]c3cccc(Oc4ccc(F)cc4)c23)cc1.
What is the InChIKey of N-[4-[[[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide?
The InChIKey is AQKVGRZIJQKDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-14(28)25-17-9-5-15(6-10-17)13-24-22-21-19(26-27-22)3-2-4-20(21)29-18-11-7-16(23)8-12-18/h2-12H,13H2,1H3,(H,25,28)(H2,24,26,27).
What are the key properties of N-[4-[[[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide?
N-[4-[[[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide has a molecular weight of 390.42 g/mol, XLogP of 5.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 11269297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).