N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C21H16Cl2N2O4 — CID 126371206

IUPACN-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C21H16Cl2N2O4/c22-16-3-1-2-15(21(16)23)17-7-5-14(29-17)12-24-25-20(26)11-13-4-6-18-19(10-13)28-9-8-27-18/h1-7,10,12H,8-9,11H2,(H,25,26)/b24-12-
InChIKeyVPMNFPRIYAMQSH-MSXFZWOLSA-N
MW431.28 g/mol
LogP4.72
Rot. Bonds5

About N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 126371206) has the molecular formula C21H16Cl2N2O4 and a molecular weight of 431.28 g/mol. Its IUPAC name is N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID126371206
Molecular FormulaC21H16Cl2N2O4
Molecular Weight431.28 g/mol
Exact Mass430.05
IUPAC NameN-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C21H16Cl2N2O4/c22-16-3-1-2-15(21(16)23)17-7-5-14(29-17)12-24-25-20(26)11-13-4-6-18-19(10-13)28-9-8-27-18/h1-7,10,12H,8-9,11H2,(H,25,26)/b24-12-
InChIKeyVPMNFPRIYAMQSH-MSXFZWOLSA-N
XLogP4.72
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 54.72
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-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126371267
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126368176
3-[5-[(Z)-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126368944
2-(1,3-benzodioxol-5-yl)-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126090958
N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 1095081
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 947493
N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126370444
methyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9075577
4-[5-[[[2-(1,3-benzodioxol-5-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3800036
2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 5215575
ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9076133
2-(1,3-benzodioxol-5-yl)-N-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 1275206

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 126371206) is N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is VPMNFPRIYAMQSH-MSXFZWOLSA-N. The full InChI is InChI=1S/C21H16Cl2N2O4/c22-16-3-1-2-15(21(16)23)17-7-5-14(29-17)12-24-25-20(26)11-13-4-6-18-19(10-13)28-9-8-27-18/h1-7,10,12H,8-9,11H2,(H,25,26)/b24-12-.
What are the key properties of N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 431.28 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 126371206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).