[1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate

C13H9Cl2NO3 — CID 3387380

IUPAC[1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate
SMILESCC(=NOC(=O)c1ccc(Cl)cc1Cl)c1ccco1
InChIInChI=1S/C13H9Cl2NO3/c1-8(12-3-2-6-18-12)16-19-13(17)10-5-4-9(14)7-11(10)15/h2-7H,1H3
InChIKeyJGKLZOWFTWANMD-UHFFFAOYSA-N
MW298.13 g/mol
LogP4.17
Rot. Bonds3

About [1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate

[1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate (PubChem CID 3387380) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.13 g/mol. Its IUPAC name is [1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate
PubChem CID3387380
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.13 g/mol
Exact Mass297.00
IUPAC Name[1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate
SMILESCC(=NOC(=O)c1ccc(Cl)cc1Cl)c1ccco1
InChIInChI=1S/C13H9Cl2NO3/c1-8(12-3-2-6-18-12)16-19-13(17)10-5-4-9(14)7-11(10)15/h2-7H,1H3
InChIKeyJGKLZOWFTWANMD-UHFFFAOYSA-N
XLogP4.17
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-(furan-2-yl)ethylideneamino] 3,4,5-trimethoxybenzoate
CID 5454853
(2,4-dichlorophenyl) furan-2-carboxylate
CID 3880755
N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 27525119
[[amino-(4-chlorophenyl)methylidene]amino] furan-2-carboxylate
CID 2276422
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate
CID 5349145
methyl 4-chloro-2-(furan-2-carbonylamino)benzoate
CID 60630180
prop-1-en-2-yl 2,4-dichlorobenzoate
CID 89323884
[[amino(pyridin-1-ium-2-yl)methylidene]amino] 2,4-dichlorobenzoate
CID 135443260
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate
CID 2276392
[(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate
CID 171982927
(5-chloro-2-methylphenyl)-(furan-2-yl)methanone
CID 82883432
(2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone
CID 21430685

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate?
The IUPAC name of [1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate (CID 3387380) is [1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate.
What is the SMILES notation for [1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate?
The canonical SMILES for [1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate is CC(=NOC(=O)c1ccc(Cl)cc1Cl)c1ccco1.
What is the InChIKey of [1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate?
The InChIKey is JGKLZOWFTWANMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c1-8(12-3-2-6-18-12)16-19-13(17)10-5-4-9(14)7-11(10)15/h2-7H,1H3.
What are the key properties of [1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate?
[1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate has a molecular weight of 298.13 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate is sourced from PubChem (CID 3387380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).