N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide

C21H19ClN2O4 — CID 5333657

IUPACN-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCOc1ccc(-c2ccc(/C=N/NC(=O)COc3cccc(C)c3)o2)cc1Cl
InChIInChI=1S/C21H19ClN2O4/c1-14-4-3-5-16(10-14)27-13-21(25)24-23-12-17-7-9-19(28-17)15-6-8-20(26-2)18(22)11-15/h3-12H,13H2,1-2H3,(H,24,25)/b23-12+
InChIKeyAFCQQYDQPSXULM-FSJBWODESA-N
MW398.85 g/mol
LogP4.45
Rot. Bonds7

About N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide

N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide (PubChem CID 5333657) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide
PubChem CID5333657
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC NameN-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCOc1ccc(-c2ccc(/C=N/NC(=O)COc3cccc(C)c3)o2)cc1Cl
InChIInChI=1S/C21H19ClN2O4/c1-14-4-3-5-16(10-14)27-13-21(25)24-23-12-17-7-9-19(28-17)15-6-8-20(26-2)18(22)11-15/h3-12H,13H2,1-2H3,(H,24,25)/b23-12+
InChIKeyAFCQQYDQPSXULM-FSJBWODESA-N
XLogP4.45
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.45
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)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 50929945
N-[(Z)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 50929978
2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 5457650
ethyl 4-[5-[(Z)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 6287015
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6885310
sodium 5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 23670347
2-(3,5-dimethylphenoxy)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 3803472
2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 71952295
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 45037872
N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 50930000
2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 968480
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 19165820

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide (CID 5333657) is N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide is COc1ccc(-c2ccc(/C=N/NC(=O)COc3cccc(C)c3)o2)cc1Cl.
What is the InChIKey of N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide?
The InChIKey is AFCQQYDQPSXULM-FSJBWODESA-N. The full InChI is InChI=1S/C21H19ClN2O4/c1-14-4-3-5-16(10-14)27-13-21(25)24-23-12-17-7-9-19(28-17)15-6-8-20(26-2)18(22)11-15/h3-12H,13H2,1-2H3,(H,24,25)/b23-12+.
What are the key properties of N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide?
N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide has a molecular weight of 398.85 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 5333657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).