5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide

C12H10ClN3O3 — CID 11153069

IUPAC5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc(-c2cc(Cl)ccc2O)o1
InChIInChI=1S/C12H10ClN3O3/c13-6-1-2-8(17)7(5-6)9-3-4-10(19-9)11(18)16-12(14)15/h1-5,17H,(H4,14,15,16,18)
InChIKeyCYAJZBRFURRKRG-UHFFFAOYSA-N
MW279.68 g/mol
LogP1.72
Rot. Bonds2

About 5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide

5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide (PubChem CID 11153069) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide
PubChem CID11153069
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc(-c2cc(Cl)ccc2O)o1
InChIInChI=1S/C12H10ClN3O3/c13-6-1-2-8(17)7(5-6)9-3-4-10(19-9)11(18)16-12(14)15/h1-5,17H,(H4,14,15,16,18)
InChIKeyCYAJZBRFURRKRG-UHFFFAOYSA-N
XLogP1.72
TPSA114.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide (CID 11153069) is 5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide is NC(N)=NC(=O)c1ccc(-c2cc(Cl)ccc2O)o1.
What is the InChIKey of 5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide?
The InChIKey is CYAJZBRFURRKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c13-6-1-2-8(17)7(5-6)9-3-4-10(19-9)11(18)16-12(14)15/h1-5,17H,(H4,14,15,16,18).
What are the key properties of 5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide?
5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide has a molecular weight of 279.68 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-hydroxyphenyl)-N-(diaminomethylidene)furan-2-carboxamide is sourced from PubChem (CID 11153069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).