N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide

C21H19ClN2O4 — CID 71462599

IUPACN-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide
SMILESC/C(=N\NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O4/c1-12-13(2)21(26)28-19-10-17(8-9-18(12)19)27-11-20(25)24-23-14(3)15-4-6-16(22)7-5-15/h4-10H,11H2,1-3H3,(H,24,25)/b23-14+
InChIKeyJJBNGFTZKXBXLS-OEAKJJBVSA-N
MW398.85 g/mol
LogP3.98
Rot. Bonds5

About N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide

N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 71462599) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID71462599
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide
SMILESC/C(=N\NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O4/c1-12-13(2)21(26)28-19-10-17(8-9-18(12)19)27-11-20(25)24-23-14(3)15-4-6-16(22)7-5-15/h4-10H,11H2,1-3H3,(H,24,25)/b23-14+
InChIKeyJJBNGFTZKXBXLS-OEAKJJBVSA-N
XLogP3.98
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.98
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
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
CID 6920998
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722
1-(4-chlorophenyl)-3-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]thiourea
CID 71459050
(3,4-dimethyl-2-oxochromen-7-yl) 4-chlorobenzoate
CID 2979976
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 909276
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)acetamide
CID 4901618
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412140
2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9317091
2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide
CID 4146329
tert-butyl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 883280

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide (CID 71462599) is N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide is C/C(=N\NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is JJBNGFTZKXBXLS-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c1-12-13(2)21(26)28-19-10-17(8-9-18(12)19)27-11-20(25)24-23-14(3)15-4-6-16(22)7-5-15/h4-10H,11H2,1-3H3,(H,24,25)/b23-14+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide?
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 398.85 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 71462599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).