N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide

C21H19ClN2O4 — CID 1104273

IUPACN-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)NN=Cc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H19ClN2O4/c1-2-26-19-9-5-6-10-20(19)27-14-21(25)24-23-13-15-11-12-18(28-15)16-7-3-4-8-17(16)22/h3-13H,2,14H2,1H3,(H,24,25)
InChIKeyPASIWZNCTHLUAB-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.53
Rot. Bonds8

About N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide

N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide (PubChem CID 1104273) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
PubChem CID1104273
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC NameN-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)NN=Cc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H19ClN2O4/c1-2-26-19-9-5-6-10-20(19)27-14-21(25)24-23-13-15-11-12-18(28-15)16-7-3-4-8-17(16)22/h3-13H,2,14H2,1H3,(H,24,25)
InChIKeyPASIWZNCTHLUAB-UHFFFAOYSA-N
XLogP4.53
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.53
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-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 6871759
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 45037872
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 947493
methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 740775
2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 5215575
2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180867
N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide
CID 724075
[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
CID 5412189
2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 71952295
2-(4-tert-butylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 25251956
2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126170071
2-(2,6-dimethylphenoxy)-N-[(E)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]acetamide
CID 6888998

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide (CID 1104273) is N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)NN=Cc1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The InChIKey is PASIWZNCTHLUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c1-2-26-19-9-5-6-10-20(19)27-14-21(25)24-23-13-15-11-12-18(28-15)16-7-3-4-8-17(16)22/h3-13H,2,14H2,1H3,(H,24,25).
What are the key properties of N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 398.85 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 1104273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).