2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide

C18H16FN3O3 — CID 135620348

IUPAC2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide
SMILESCc1cc(C)c2[nH]c(O)c(/N=N/C(=O)COc3ccc(F)cc3)c2c1
InChIInChI=1S/C18H16FN3O3/c1-10-7-11(2)16-14(8-10)17(18(24)20-16)22-21-15(23)9-25-13-5-3-12(19)4-6-13/h3-8,20,24H,9H2,1-2H3/b22-21+
InChIKeyADCNRYNREMVWAT-QURGRASLSA-N
MW341.34 g/mol
LogP4.32
Rot. Bonds4

About 2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide

2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide (PubChem CID 135620348) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide
PubChem CID135620348
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide
SMILESCc1cc(C)c2[nH]c(O)c(/N=N/C(=O)COc3ccc(F)cc3)c2c1
InChIInChI=1S/C18H16FN3O3/c1-10-7-11(2)16-14(8-10)17(18(24)20-16)22-21-15(23)9-25-13-5-3-12(19)4-6-13/h3-8,20,24H,9H2,1-2H3/b22-21+
InChIKeyADCNRYNREMVWAT-QURGRASLSA-N
XLogP4.32
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.32
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

N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide
CID 3566388
2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135551915
ethyl N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]carbamate
CID 135557738
4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide
CID 3607032
2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135883396
N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
CID 1126524
N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 1381525
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 135582389
N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide
CID 3500750
3-bromo-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide
CID 3880557
1-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-3-methylthiourea
CID 135758806
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide (CID 135620348) is 2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide is Cc1cc(C)c2[nH]c(O)c(/N=N/C(=O)COc3ccc(F)cc3)c2c1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide?
The InChIKey is ADCNRYNREMVWAT-QURGRASLSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-10-7-11(2)16-14(8-10)17(18(24)20-16)22-21-15(23)9-25-13-5-3-12(19)4-6-13/h3-8,20,24H,9H2,1-2H3/b22-21+.
What are the key properties of 2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide?
2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide has a molecular weight of 341.34 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 135620348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).