N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

C17H19ClN2O4 — CID 8518654

IUPACN-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCCOc1c(Cl)cc(/C=N\NC(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C17H19ClN2O4/c1-5-23-16-14(18)7-12(8-15(16)22-4)9-19-20-17(21)13-6-10(2)24-11(13)3/h6-9H,5H2,1-4H3,(H,20,21)/b19-9-
InChIKeyACXLDCYPTAOBDV-OCKHKDLRSA-N
MW350.80 g/mol
LogP3.72
Rot. Bonds6

About N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 8518654) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID8518654
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC NameN-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCCOc1c(Cl)cc(/C=N\NC(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C17H19ClN2O4/c1-5-23-16-14(18)7-12(8-15(16)22-4)9-19-20-17(21)13-6-10(2)24-11(13)3/h6-9H,5H2,1-4H3,(H,20,21)/b19-9-
InChIKeyACXLDCYPTAOBDV-OCKHKDLRSA-N
XLogP3.72
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9460784
N-[(4-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760412
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509511
ethyl 2-[2-chloro-6-methoxy-4-[(E)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 19061100
N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6910713
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide
CID 5430843
2-amino-N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510273
N'-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 8931757
N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126341638
N-[(E)-(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126197322
2-chloro-N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 9016258
N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide
CID 8989020

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 8518654) is N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is CCOc1c(Cl)cc(/C=N\NC(=O)c2cc(C)oc2C)cc1OC.
What is the InChIKey of N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is ACXLDCYPTAOBDV-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-5-23-16-14(18)7-12(8-15(16)22-4)9-19-20-17(21)13-6-10(2)24-11(13)3/h6-9H,5H2,1-4H3,(H,20,21)/b19-9-.
What are the key properties of N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 350.80 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 8518654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).