N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C19H14Cl2N2O5 — CID 135716895

IUPACN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cc(Cl)cc(Cl)c3O)ccc12
InChIInChI=1S/C19H14Cl2N2O5/c1-10-4-18(25)28-16-7-13(2-3-14(10)16)27-9-17(24)23-22-8-11-5-12(20)6-15(21)19(11)26/h2-8,26H,9H2,1H3,(H,23,24)/b22-8+
InChIKeyGHCFSUPVNMPOLZ-GZIVZEMBSA-N
MW421.24 g/mol
LogP3.64
Rot. Bonds5

About N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 135716895) has the molecular formula C19H14Cl2N2O5 and a molecular weight of 421.24 g/mol. Its IUPAC name is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID135716895
Molecular FormulaC19H14Cl2N2O5
Molecular Weight421.24 g/mol
Exact Mass420.03
IUPAC NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cc(Cl)cc(Cl)c3O)ccc12
InChIInChI=1S/C19H14Cl2N2O5/c1-10-4-18(25)28-16-7-13(2-3-14(10)16)27-9-17(24)23-22-8-11-5-12(20)6-15(21)19(11)26/h2-8,26H,9H2,1H3,(H,23,24)/b22-8+
InChIKeyGHCFSUPVNMPOLZ-GZIVZEMBSA-N
XLogP3.64
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.24
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 3557372
N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 3557369
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 9412255
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 6862540
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412335
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412099
N-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412039
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412162
2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135822484
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide
CID 9218208
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135559947

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 135716895) is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cc(Cl)cc(Cl)c3O)ccc12.
What is the InChIKey of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is GHCFSUPVNMPOLZ-GZIVZEMBSA-N. The full InChI is InChI=1S/C19H14Cl2N2O5/c1-10-4-18(25)28-16-7-13(2-3-14(10)16)27-9-17(24)23-22-8-11-5-12(20)6-15(21)19(11)26/h2-8,26H,9H2,1H3,(H,23,24)/b22-8+.
What are the key properties of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 421.24 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 135716895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).