2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide

C17H12FNO4 — CID 1253105

IUPAC2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide
SMILESNC(=O)COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1
InChIInChI=1S/C17H12FNO4/c18-12-4-1-10(2-5-12)14-7-11-3-6-13(22-9-16(19)20)8-15(11)23-17(14)21/h1-8H,9H2,(H2,19,20)
InChIKeyXMCKGPMVCUTXSE-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.46
Rot. Bonds4

About 2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide

2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide (PubChem CID 1253105) has the molecular formula C17H12FNO4 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide
PubChem CID1253105
Molecular FormulaC17H12FNO4
Molecular Weight313.28 g/mol
Exact Mass313.08
IUPAC Name2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide
SMILESNC(=O)COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1
InChIInChI=1S/C17H12FNO4/c18-12-4-1-10(2-5-12)14-7-11-3-6-13(22-9-16(19)20)8-15(11)23-17(14)21/h1-8H,9H2,(H2,19,20)
InChIKeyXMCKGPMVCUTXSE-UHFFFAOYSA-N
XLogP2.46
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 2-[3-(4-fluorophenyl)-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

2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetic acid
CID 1382977
2-[3-(4-chlorophenyl)-2-oxochromen-7-yl]oxyacetic acid
CID 1383018
2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide
CID 42536387
ethyl (2R)-2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxy-2-phenylacetate
CID 2062748
3-(4-butoxyphenyl)-7-(hydroxymethoxy)chromen-2-one
CID 126606414
[3-(4-butoxyphenyl)-2-oxochromen-7-yl]oxymethyl propanoate
CID 153303627
3-(3,4-dimethoxyphenyl)-7-(2-methylprop-2-enoxy)chromen-2-one
CID 1424965
2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide
CID 39347761
7-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylchromen-2-one
CID 44963468
3-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)chromen-2-one
CID 1424918
[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl 2-methylpropanoate
CID 153303633
7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide (CID 1253105) is 2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide is NC(=O)COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide?
The InChIKey is XMCKGPMVCUTXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO4/c18-12-4-1-10(2-5-12)14-7-11-3-6-13(22-9-16(19)20)8-15(11)23-17(14)21/h1-8H,9H2,(H2,19,20).
What are the key properties of 2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide?
2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide has a molecular weight of 313.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide is sourced from PubChem (CID 1253105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).