N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C20H16F2N2O4 — CID 9412140

IUPACN-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESC/C(=N/NC(=O)COc1ccc2c(C)cc(=O)oc2c1)c1cc(F)ccc1F
InChIInChI=1S/C20H16F2N2O4/c1-11-7-20(26)28-18-9-14(4-5-15(11)18)27-10-19(25)24-23-12(2)16-8-13(21)3-6-17(16)22/h3-9H,10H2,1-2H3,(H,24,25)/b23-12-
InChIKeyNMGMONZHUBXCSK-FMCGGJTJSA-N
MW386.35 g/mol
LogP3.30
Rot. Bonds5

About N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 9412140) has the molecular formula C20H16F2N2O4 and a molecular weight of 386.35 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID9412140
Molecular FormulaC20H16F2N2O4
Molecular Weight386.35 g/mol
Exact Mass386.11
IUPAC NameN-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESC/C(=N/NC(=O)COc1ccc2c(C)cc(=O)oc2c1)c1cc(F)ccc1F
InChIInChI=1S/C20H16F2N2O4/c1-11-7-20(26)28-18-9-14(4-5-15(11)18)27-10-19(25)24-23-12(2)16-8-13(21)3-6-17(16)22/h3-9H,10H2,1-2H3,(H,24,25)/b23-12-
InChIKeyNMGMONZHUBXCSK-FMCGGJTJSA-N
XLogP3.30
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412162
2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide
CID 9359015
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 7967934
7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 788625
N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 863920
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2430791
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 9412255
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412099
N-[2-(2-fluorophenoxy)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7927599

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 9412140) is N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is C/C(=N/NC(=O)COc1ccc2c(C)cc(=O)oc2c1)c1cc(F)ccc1F.
What is the InChIKey of N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is NMGMONZHUBXCSK-FMCGGJTJSA-N. The full InChI is InChI=1S/C20H16F2N2O4/c1-11-7-20(26)28-18-9-14(4-5-15(11)18)27-10-19(25)24-23-12(2)16-8-13(21)3-6-17(16)22/h3-9H,10H2,1-2H3,(H,24,25)/b23-12-.
What are the key properties of N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 386.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 9412140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).