[[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate

C13H11ClN2O3 — CID 2276392

IUPAC[[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate
SMILESNC(Cc1ccc(Cl)cc1)=NOC(=O)c1ccco1
InChIInChI=1S/C13H11ClN2O3/c14-10-5-3-9(4-6-10)8-12(15)16-19-13(17)11-2-1-7-18-11/h1-7H,8H2,(H2,15,16)
InChIKeyAJHLYJXXDAJXRP-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.60
Rot. Bonds4

About [[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate

[[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate (PubChem CID 2276392) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is [[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate.

Molecular Properties

Compound Name[[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate
PubChem CID2276392
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name[[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate
SMILESNC(Cc1ccc(Cl)cc1)=NOC(=O)c1ccco1
InChIInChI=1S/C13H11ClN2O3/c14-10-5-3-9(4-6-10)8-12(15)16-19-13(17)11-2-1-7-18-11/h1-7H,8H2,(H2,15,16)
InChIKeyAJHLYJXXDAJXRP-UHFFFAOYSA-N
XLogP2.60
TPSA77.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

[[amino-(4-chlorophenyl)methylidene]amino] furan-2-carboxylate
CID 2276422
2-(4-chlorophenyl)-1-(furan-2-yl)ethanone
CID 11096153
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate
CID 6279155
[(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate
CID 133221313
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3,5-dimethoxybenzoate
CID 6386281
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-methoxybenzoate
CID 4210314
bromomethyl furan-2-carboxylate
CID 54363056
(2,4-dichlorophenyl) furan-2-carboxylate
CID 3880755
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(4-nitrophenyl)acetate
CID 2876830
[(1-amino-2-quinolin-8-yloxyethylidene)amino] furan-2-carboxylate
CID 71320066
1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172819
3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one
CID 175418899

Frequently Asked Questions

What is the IUPAC name of [[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate?
The IUPAC name of [[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate (CID 2276392) is [[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate.
What is the SMILES notation for [[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate?
The canonical SMILES for [[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate is NC(Cc1ccc(Cl)cc1)=NOC(=O)c1ccco1.
What is the InChIKey of [[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate?
The InChIKey is AJHLYJXXDAJXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-10-5-3-9(4-6-10)8-12(15)16-19-13(17)11-2-1-7-18-11/h1-7H,8H2,(H2,15,16).
What are the key properties of [[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate?
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate has a molecular weight of 278.69 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate is sourced from PubChem (CID 2276392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).