N-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide

C19H15F2NO4 — CID 4972127

IUPACN-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
SMILESCc1cc(OCC(=O)Nc2ccc(F)cc2F)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C19H15F2NO4/c1-10-5-15(19-11(2)7-18(24)26-16(19)6-10)25-9-17(23)22-14-4-3-12(20)8-13(14)21/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyUESQENGZMWVLFJ-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.71
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide

N-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide (PubChem CID 4972127) has the molecular formula C19H15F2NO4 and a molecular weight of 359.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
PubChem CID4972127
Molecular FormulaC19H15F2NO4
Molecular Weight359.33 g/mol
Exact Mass359.10
IUPAC NameN-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
SMILESCc1cc(OCC(=O)Nc2ccc(F)cc2F)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C19H15F2NO4/c1-10-5-15(19-11(2)7-18(24)26-16(19)6-10)25-9-17(23)22-14-4-3-12(20)8-13(14)21/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyUESQENGZMWVLFJ-UHFFFAOYSA-N
XLogP3.71
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.71
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-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide
CID 2351690
N-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
CID 4870875
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608
N-(2,4-difluorophenyl)-2-(4-methylphenoxy)acetamide
CID 755254
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide
CID 4909677
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555443
N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide
CID 7815061
2-(2,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 35728477
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2-chloro-4-methylphenyl)acetamide
CID 4823620
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234812
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
N-(2-acetamido-5-methylphenyl)-2-(2,4-difluorophenoxy)acetamide
CID 131890166

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide (CID 4972127) is N-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide is Cc1cc(OCC(=O)Nc2ccc(F)cc2F)c2c(C)cc(=O)oc2c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
The InChIKey is UESQENGZMWVLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO4/c1-10-5-15(19-11(2)7-18(24)26-16(19)6-10)25-9-17(23)22-14-4-3-12(20)8-13(14)21/h3-8H,9H2,1-2H3,(H,22,23).
What are the key properties of N-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
N-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide has a molecular weight of 359.33 g/mol, XLogP of 3.71, 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-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide is sourced from PubChem (CID 4972127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).