N-(2,4-difluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C18H13F2NO4 — CID 907421

IUPACN-(2,4-difluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(F)cc3F)ccc12
InChIInChI=1S/C18H13F2NO4/c1-10-6-18(23)25-16-8-12(3-4-13(10)16)24-9-17(22)21-15-5-2-11(19)7-14(15)20/h2-8H,9H2,1H3,(H,21,22)
InChIKeyWUKLJIDNIOQZTJ-UHFFFAOYSA-N
MW345.30 g/mol
LogP3.40
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-(2,4-difluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 907421) has the molecular formula C18H13F2NO4 and a molecular weight of 345.30 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID907421
Molecular FormulaC18H13F2NO4
Molecular Weight345.30 g/mol
Exact Mass345.08
IUPAC NameN-(2,4-difluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(F)cc3F)ccc12
InChIInChI=1S/C18H13F2NO4/c1-10-6-18(23)25-16-8-12(3-4-13(10)16)24-9-17(22)21-15-5-2-11(19)7-14(15)20/h2-8H,9H2,1H3,(H,21,22)
InChIKeyWUKLJIDNIOQZTJ-UHFFFAOYSA-N
XLogP3.40
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 749749
2-(2-methylphenoxy)-N-(2-oxo-2H-chromen-6-yl)acetamide
CID 969017
2-[2-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-acetylamino]-benzoic acid
CID 1082766
[2-(3-Methylanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2421840
[1-Oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 3501685
N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18077750
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 4385914
Phenyl-carbamic acid 8-allyl-2-oxo-2H-chromen-7-yl ester
CID 11723581
2-(4-methoxyphenoxy)-N-(2-oxochromen-6-yl)acetamide
CID 943146
N-(2-ethoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 888665
3-Carboxamido coumarin, 44
CID 42618010
2-(2,4-dimethylphenoxy)-N-(2-oxo-2H-chromen-6-yl)acetamide
CID 965734

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 907421) is N-(2,4-difluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(F)cc3F)ccc12.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is WUKLJIDNIOQZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO4/c1-10-6-18(23)25-16-8-12(3-4-13(10)16)24-9-17(22)21-15-5-2-11(19)7-14(15)20/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-(2,4-difluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 345.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 907421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).