2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide

C15H15Cl2N3O2 — CID 6069375

IUPAC2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
SMILESCN(C)c1ccc(/C=N\NC(=O)Cc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C15H15Cl2N3O2/c1-20(2)15-6-4-11(22-15)9-18-19-14(21)8-10-3-5-12(16)13(17)7-10/h3-7,9H,8H2,1-2H3,(H,19,21)/b18-9-
InChIKeyIXRJLRDVNVBMEY-NVMNQCDNSA-N
MW340.21 g/mol
LogP3.35
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide

2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide (PubChem CID 6069375) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
PubChem CID6069375
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
SMILESCN(C)c1ccc(/C=N\NC(=O)Cc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C15H15Cl2N3O2/c1-20(2)15-6-4-11(22-15)9-18-19-14(21)8-10-3-5-12(16)13(17)7-10/h3-7,9H,8H2,1-2H3,(H,19,21)/b18-9-
InChIKeyIXRJLRDVNVBMEY-NVMNQCDNSA-N
XLogP3.35
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_A(15)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
CID 91991158
N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide
CID 131854027
2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5413519
2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
CID 126008441
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126371267
2-(4-chlorophenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 93224601
N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126371206
3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide
CID 5427617
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126364328
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428714
N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 5436996
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 947493

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide (CID 6069375) is 2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide is CN(C)c1ccc(/C=N\NC(=O)Cc2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide?
The InChIKey is IXRJLRDVNVBMEY-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c1-20(2)15-6-4-11(22-15)9-18-19-14(21)8-10-3-5-12(16)13(17)7-10/h3-7,9H,8H2,1-2H3,(H,19,21)/b18-9-.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide?
2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide has a molecular weight of 340.21 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 6069375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).