N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide

C12H8Cl2N2O2 — CID 5401936

IUPACN-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C12H8Cl2N2O2/c13-9-4-3-8(6-10(9)14)7-15-16-12(17)11-2-1-5-18-11/h1-7H,(H,16,17)/b15-7-
InChIKeyDGPOESJBNMHHIQ-CHHVJCJISA-N
MW283.11 g/mol
LogP3.35
Rot. Bonds3

About N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide

N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide (PubChem CID 5401936) has the molecular formula C12H8Cl2N2O2 and a molecular weight of 283.11 g/mol. Its IUPAC name is N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide
PubChem CID5401936
Molecular FormulaC12H8Cl2N2O2
Molecular Weight283.11 g/mol
Exact Mass282.00
IUPAC NameN-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C12H8Cl2N2O2/c13-9-4-3-8(6-10(9)14)7-15-16-12(17)11-2-1-5-18-11/h1-7H,(H,16,17)/b15-7-
InChIKeyDGPOESJBNMHHIQ-CHHVJCJISA-N
XLogP3.35
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide
CID 6878496
N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6885887
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136794136
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135562319
N-[(3,4-dichlorophenyl)methylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 3843823
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135784611
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 7231244
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide
CID 2336578
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
CID 4991897
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 135642156

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide (CID 5401936) is N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide is O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccco1.
What is the InChIKey of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is DGPOESJBNMHHIQ-CHHVJCJISA-N. The full InChI is InChI=1S/C12H8Cl2N2O2/c13-9-4-3-8(6-10(9)14)7-15-16-12(17)11-2-1-5-18-11/h1-7H,(H,16,17)/b15-7-.
What are the key properties of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide?
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 283.11 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 5401936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).