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

C19H13Cl3N2O3 — CID 71952295

IUPAC2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(COc1cccc(Cl)c1)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C19H13Cl3N2O3/c20-12-2-1-3-14(8-12)26-11-19(25)24-23-10-15-5-7-18(27-15)16-9-13(21)4-6-17(16)22/h1-10H,11H2,(H,24,25)
InChIKeyRNBQAPJSGOEYSU-UHFFFAOYSA-N
MW423.68 g/mol
LogP5.44
Rot. Bonds6

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

2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 71952295) has the molecular formula C19H13Cl3N2O3 and a molecular weight of 423.68 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID71952295
Molecular FormulaC19H13Cl3N2O3
Molecular Weight423.68 g/mol
Exact Mass422.00
IUPAC Name2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(COc1cccc(Cl)c1)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C19H13Cl3N2O3/c20-12-2-1-3-14(8-12)26-11-19(25)24-23-10-15-5-7-18(27-15)16-9-13(21)4-6-17(16)22/h1-10H,11H2,(H,24,25)
InChIKeyRNBQAPJSGOEYSU-UHFFFAOYSA-N
XLogP5.44
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.68
LogP ≤ 55.44
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

2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 5457650
2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 3947681
N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 1369815
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 6871759
2-[4-[(2S)-butan-2-yl]phenoxy]-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 41338902
2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 5215575
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 6321807
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 45037872
2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180867
2-[5-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126170199
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 1104273
2-(4-tert-butylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 25251956

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide (CID 71952295) is 2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide is O=C(COc1cccc(Cl)c1)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is RNBQAPJSGOEYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2O3/c20-12-2-1-3-14(8-12)26-11-19(25)24-23-10-15-5-7-18(27-15)16-9-13(21)4-6-17(16)22/h1-10H,11H2,(H,24,25).
What are the key properties of 2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?
2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 423.68 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 71952295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).