ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate

C14H12Cl2N2O3 — CID 9076133

IUPACethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C14H12Cl2N2O3/c1-2-20-14(19)18-17-8-9-6-7-12(21-9)10-4-3-5-11(15)13(10)16/h3-8H,2H2,1H3,(H,18,19)/b17-8-
InChIKeyPNMMJOSSQROBFL-IUXPMGMMSA-N
MW327.17 g/mol
LogP4.33
Rot. Bonds4

About ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate

ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate (PubChem CID 9076133) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
PubChem CID9076133
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Nameethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C14H12Cl2N2O3/c1-2-20-14(19)18-17-8-9-6-7-12(21-9)10-4-3-5-11(15)13(10)16/h3-8H,2H2,1H3,(H,18,19)/b17-8-
InChIKeyPNMMJOSSQROBFL-IUXPMGMMSA-N
XLogP4.33
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.33
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

methyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9075577
N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide
CID 19060910
methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 740775
2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180867
N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 1095081
N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 6862986
2-(4-tert-butylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 25251956
4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 2246358
[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
CID 5412189
2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 5215575
[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino] acetate
CID 91674094
ethyl N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]carbamate
CID 6265172

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate (CID 9076133) is ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate is CCOC(=O)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate?
The InChIKey is PNMMJOSSQROBFL-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-2-20-14(19)18-17-8-9-6-7-12(21-9)10-4-3-5-11(15)13(10)16/h3-8H,2H2,1H3,(H,18,19)/b17-8-.
What are the key properties of ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate?
ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate has a molecular weight of 327.17 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate is sourced from PubChem (CID 9076133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).