N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C20H14FN3O5 — CID 135582389

IUPACN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)/N=N/c3c(O)[nH]c4ccc(F)cc34)ccc12
InChIInChI=1S/C20H14FN3O5/c1-10-6-18(26)29-16-8-12(3-4-13(10)16)28-9-17(25)23-24-19-14-7-11(21)2-5-15(14)22-20(19)27/h2-8,22,27H,9H2,1H3/b24-23+
InChIKeyCXFMVCYRMBNOFZ-WCWDXBQESA-N
MW395.35 g/mol
LogP4.12
Rot. Bonds4

About N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 135582389) has the molecular formula C20H14FN3O5 and a molecular weight of 395.35 g/mol. Its IUPAC name is N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID135582389
Molecular FormulaC20H14FN3O5
Molecular Weight395.35 g/mol
Exact Mass395.09
IUPAC NameN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)/N=N/c3c(O)[nH]c4ccc(F)cc34)ccc12
InChIInChI=1S/C20H14FN3O5/c1-10-6-18(26)29-16-8-12(3-4-13(10)16)28-9-17(25)23-24-19-14-7-11(21)2-5-15(14)22-20(19)27/h2-8,22,27H,9H2,1H3/b24-23+
InChIKeyCXFMVCYRMBNOFZ-WCWDXBQESA-N
XLogP4.12
TPSA117.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 788625
N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
CID 137179326
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844242
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524874
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 7967934
2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135620348
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412140
propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2788108
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
(2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844229

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 135582389) is N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)/N=N/c3c(O)[nH]c4ccc(F)cc34)ccc12.
What is the InChIKey of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is CXFMVCYRMBNOFZ-WCWDXBQESA-N. The full InChI is InChI=1S/C20H14FN3O5/c1-10-6-18(26)29-16-8-12(3-4-13(10)16)28-9-17(25)23-24-19-14-7-11(21)2-5-15(14)22-20(19)27/h2-8,22,27H,9H2,1H3/b24-23+.
What are the key properties of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 395.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 135582389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).