N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide

C18H14FNO5 — CID 32607911

IUPACN-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCOc1cc(F)ccc1NC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C18H14FNO5/c1-23-16-8-12(19)4-6-14(16)20-17(21)10-24-13-5-2-11-3-7-18(22)25-15(11)9-13/h2-9H,10H2,1H3,(H,20,21)
InChIKeyPUBOQOBNVAREBQ-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.96
Rot. Bonds5

About N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide

N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 32607911) has the molecular formula C18H14FNO5 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID32607911
Molecular FormulaC18H14FNO5
Molecular Weight343.31 g/mol
Exact Mass343.09
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCOc1cc(F)ccc1NC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C18H14FNO5/c1-23-16-8-12(19)4-6-14(16)20-17(21)10-24-13-5-2-11-3-7-18(22)25-15(11)9-13/h2-9H,10H2,1H3,(H,20,21)
InChIKeyPUBOQOBNVAREBQ-UHFFFAOYSA-N
XLogP2.96
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705141
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2610857
N-(6-methoxy-3-pyridinyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 26515775
N-(4-fluoro-2-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 87000961
N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2667413
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 35999133
methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate
CID 17419486
N-(5-tert-butyl-2-hydroxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 27672834
N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 171911516

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide (CID 32607911) is N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide is COc1cc(F)ccc1NC(=O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is PUBOQOBNVAREBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO5/c1-23-16-8-12(19)4-6-14(16)20-17(21)10-24-13-5-2-11-3-7-18(22)25-15(11)9-13/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 343.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 32607911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).