2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide

C19H18FN3O3 — CID 135557715

IUPAC2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
SMILESCC(C)c1ccc2[nH]c(O)c(/N=N/C(=O)COc3cccc(F)c3)c2c1
InChIInChI=1S/C19H18FN3O3/c1-11(2)12-6-7-16-15(8-12)18(19(25)21-16)23-22-17(24)10-26-14-5-3-4-13(20)9-14/h3-9,11,21,25H,10H2,1-2H3/b23-22+
InChIKeyVVCLADZKDMIYND-GHVJWSGMSA-N
MW355.37 g/mol
LogP4.83
Rot. Bonds5

About 2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide

2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide (PubChem CID 135557715) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
PubChem CID135557715
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
SMILESCC(C)c1ccc2[nH]c(O)c(/N=N/C(=O)COc3cccc(F)c3)c2c1
InChIInChI=1S/C19H18FN3O3/c1-11(2)12-6-7-16-15(8-12)18(19(25)21-16)23-22-17(24)10-26-14-5-3-4-13(20)9-14/h3-9,11,21,25H,10H2,1-2H3/b23-22+
InChIKeyVVCLADZKDMIYND-GHVJWSGMSA-N
XLogP4.83
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
CID 135775220
4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
CID 135775134
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
CID 1240511
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 135582389
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
CID 2424477
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135811317
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767861
N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide
CID 3561394
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-4-oxo-3H-phthalazine-1-carboxamide
CID 135847909
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793
2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413435
4-[2-[(2-hydroxy-5-iodo-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoic acid
CID 135530541

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide (CID 135557715) is 2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide is CC(C)c1ccc2[nH]c(O)c(/N=N/C(=O)COc3cccc(F)c3)c2c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide?
The InChIKey is VVCLADZKDMIYND-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-11(2)12-6-7-16-15(8-12)18(19(25)21-16)23-22-17(24)10-26-14-5-3-4-13(20)9-14/h3-9,11,21,25H,10H2,1-2H3/b23-22+.
What are the key properties of 2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide?
2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide has a molecular weight of 355.37 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 135557715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).