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

C20H17ClN2O4 — CID 71462598

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1c(C)c2ccc(OCC(=O)N/N=C/c3ccc(Cl)cc3)cc2oc1=O
InChIInChI=1S/C20H17ClN2O4/c1-12-13(2)20(25)27-18-9-16(7-8-17(12)18)26-11-19(24)23-22-10-14-3-5-15(21)6-4-14/h3-10H,11H2,1-2H3,(H,23,24)/b22-10+
InChIKeyNVXPPKAARNLWJA-LSHDLFTRSA-N
MW384.82 g/mol
LogP3.59
Rot. Bonds5

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

N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 71462598) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID71462598
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1c(C)c2ccc(OCC(=O)N/N=C/c3ccc(Cl)cc3)cc2oc1=O
InChIInChI=1S/C20H17ClN2O4/c1-12-13(2)20(25)27-18-9-16(7-8-17(12)18)26-11-19(24)23-22-10-14-3-5-15(21)6-4-14/h3-10H,11H2,1-2H3,(H,23,24)/b22-10+
InChIKeyNVXPPKAARNLWJA-LSHDLFTRSA-N
XLogP3.59
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide (CID 71462598) is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide is Cc1c(C)c2ccc(OCC(=O)N/N=C/c3ccc(Cl)cc3)cc2oc1=O.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is NVXPPKAARNLWJA-LSHDLFTRSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-12-13(2)20(25)27-18-9-16(7-8-17(12)18)26-11-19(24)23-22-10-14-3-5-15(21)6-4-14/h3-10H,11H2,1-2H3,(H,23,24)/b22-10+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 384.82 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 71462598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).