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

C22H21ClN2O4 — CID 6871753

IUPACN-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
SMILESCOc1ccc(-c2ccc(/C=N/NC(=O)COc3cc(C)ccc3C)o2)cc1Cl
InChIInChI=1S/C22H21ClN2O4/c1-14-4-5-15(2)21(10-14)28-13-22(26)25-24-12-17-7-9-19(29-17)16-6-8-20(27-3)18(23)11-16/h4-12H,13H2,1-3H3,(H,25,26)/b24-12+
InChIKeyWXNBHZOHEUAQNX-WYMPLXKRSA-N
MW412.87 g/mol
LogP4.75
Rot. Bonds7

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

N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 6871753) has the molecular formula C22H21ClN2O4 and a molecular weight of 412.87 g/mol. Its IUPAC name is N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
PubChem CID6871753
Molecular FormulaC22H21ClN2O4
Molecular Weight412.87 g/mol
Exact Mass412.12
IUPAC NameN-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
SMILESCOc1ccc(-c2ccc(/C=N/NC(=O)COc3cc(C)ccc3C)o2)cc1Cl
InChIInChI=1S/C22H21ClN2O4/c1-14-4-5-15(2)21(10-14)28-13-22(26)25-24-12-17-7-9-19(29-17)16-6-8-20(27-3)18(23)11-16/h4-12H,13H2,1-3H3,(H,25,26)/b24-12+
InChIKeyWXNBHZOHEUAQNX-WYMPLXKRSA-N
XLogP4.75
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 54.75
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

5-[(2-chlorophenoxy)methyl]-N'-(4-methoxybenzylidene)-2-furohydrazide
CID 6874296
N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 7340566
4-(2-((2-Chlorophenoxy)acetyl)carbohydrazonoyl)phenyl 4-propoxybenzoate
CID 9646681
3-(2-((2,4-Dichlorophenoxy)acetyl)carbohydrazonoyl)phenyl 4-methoxybenzoate
CID 9658225
5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]-2-furancarboxamide
CID 999921
2-(2-chlorophenoxy)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 1381732
2-(2-chlorophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 5513360
2-(2-chlorophenoxy)-N'-[(E)-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene]acetohydrazide
CID 6894973
N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-fluorobenzamide
CID 7368777
N'-{(Z)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylidene}-4-fluorobenzohydrazide
CID 9699074
2-(4-chloro-2-methylphenoxy)-N'-[(E)-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene]acetohydrazide
CID 24215787
2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 27877847

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide (CID 6871753) is N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide is COc1ccc(-c2ccc(/C=N/NC(=O)COc3cc(C)ccc3C)o2)cc1Cl.
What is the InChIKey of N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is WXNBHZOHEUAQNX-WYMPLXKRSA-N. The full InChI is InChI=1S/C22H21ClN2O4/c1-14-4-5-15(2)21(10-14)28-13-22(26)25-24-12-17-7-9-19(29-17)16-6-8-20(27-3)18(23)11-16/h4-12H,13H2,1-3H3,(H,25,26)/b24-12+.
What are the key properties of N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide?
N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 412.87 g/mol, XLogP of 4.75, 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-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 6871753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).