N-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide

C25H20FNO6 — CID 171324386

IUPACN-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
SMILESCOc1ccc(-c2coc3cc(OCC(=O)NCc4ccccc4F)cc(O)c3c2=O)cc1
InChIInChI=1S/C25H20FNO6/c1-31-17-8-6-15(7-9-17)19-13-33-22-11-18(10-21(28)24(22)25(19)30)32-14-23(29)27-12-16-4-2-3-5-20(16)26/h2-11,13,28H,12,14H2,1H3,(H,27,29)
InChIKeyBKCTVQGEQNQYPN-UHFFFAOYSA-N
MW449.43 g/mol
LogP4.01
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide

N-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide (PubChem CID 171324386) has the molecular formula C25H20FNO6 and a molecular weight of 449.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
PubChem CID171324386
Molecular FormulaC25H20FNO6
Molecular Weight449.43 g/mol
Exact Mass449.13
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
SMILESCOc1ccc(-c2coc3cc(OCC(=O)NCc4ccccc4F)cc(O)c3c2=O)cc1
InChIInChI=1S/C25H20FNO6/c1-31-17-8-6-15(7-9-17)19-13-33-22-11-18(10-21(28)24(22)25(19)30)32-14-23(29)27-12-16-4-2-3-5-20(16)26/h2-11,13,28H,12,14H2,1H3,(H,27,29)
InChIKeyBKCTVQGEQNQYPN-UHFFFAOYSA-N
XLogP4.01
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-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

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide (CID 171324386) is N-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide is COc1ccc(-c2coc3cc(OCC(=O)NCc4ccccc4F)cc(O)c3c2=O)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide?
The InChIKey is BKCTVQGEQNQYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO6/c1-31-17-8-6-15(7-9-17)19-13-33-22-11-18(10-21(28)24(22)25(19)30)32-14-23(29)27-12-16-4-2-3-5-20(16)26/h2-11,13,28H,12,14H2,1H3,(H,27,29).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide?
N-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide has a molecular weight of 449.43 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide is sourced from PubChem (CID 171324386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).