2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide

C19H12Cl4N2O3 — CID 5215575

IUPAC2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C19H12Cl4N2O3/c20-11-4-6-14(21)17(8-11)27-10-18(26)25-24-9-12-5-7-16(28-12)13-2-1-3-15(22)19(13)23/h1-9H,10H2,(H,25,26)
InChIKeyZGZXYQZAQAKNEO-UHFFFAOYSA-N
MW458.13 g/mol
LogP6.09
Rot. Bonds6

About 2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide

2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 5215575) has the molecular formula C19H12Cl4N2O3 and a molecular weight of 458.13 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID5215575
Molecular FormulaC19H12Cl4N2O3
Molecular Weight458.13 g/mol
Exact Mass455.96
IUPAC Name2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C19H12Cl4N2O3/c20-11-4-6-14(21)17(8-11)27-10-18(26)25-24-9-12-5-7-16(28-12)13-2-1-3-15(22)19(13)23/h1-9H,10H2,(H,25,26)
InChIKeyZGZXYQZAQAKNEO-UHFFFAOYSA-N
XLogP6.09
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.13
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180867
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
N-[(Z)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 50929978
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 1104273
2-(4-chloro-2-nitrophenoxy)-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180889
methyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9075577
N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 3312533
N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 1095081
ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9076133
N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 25247238

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide (CID 5215575) is 2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide is O=C(COc1cc(Cl)ccc1Cl)NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is ZGZXYQZAQAKNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl4N2O3/c20-11-4-6-14(21)17(8-11)27-10-18(26)25-24-9-12-5-7-16(28-12)13-2-1-3-15(22)19(13)23/h1-9H,10H2,(H,25,26).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?
2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 458.13 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 5215575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).