5-(3-chlorophenyl)-N-(diaminomethylidene)furan-2-carboxamide

C12H10ClN3O2 — CID 11300040

IUPAC5-(3-chlorophenyl)-N-(diaminomethylidene)furan-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C12H10ClN3O2/c13-8-3-1-2-7(6-8)9-4-5-10(18-9)11(17)16-12(14)15/h1-6H,(H4,14,15,16,17)
InChIKeyYUWFMESNQAEBBZ-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.01
Rot. Bonds2

About 5-(3-chlorophenyl)-N-(diaminomethylidene)furan-2-carboxamide

5-(3-chlorophenyl)-N-(diaminomethylidene)furan-2-carboxamide (PubChem CID 11300040) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(diaminomethylidene)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(diaminomethylidene)furan-2-carboxamide
PubChem CID11300040
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name5-(3-chlorophenyl)-N-(diaminomethylidene)furan-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C12H10ClN3O2/c13-8-3-1-2-7(6-8)9-4-5-10(18-9)11(17)16-12(14)15/h1-6H,(H4,14,15,16,17)
InChIKeyYUWFMESNQAEBBZ-UHFFFAOYSA-N
XLogP2.01
TPSA94.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3-chlorophenyl)-N-(diaminomethylidene)furan-2-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-(diaminomethylidene)furan-2-carboxamide (CID 11300040) is 5-(3-chlorophenyl)-N-(diaminomethylidene)furan-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(diaminomethylidene)furan-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-(diaminomethylidene)furan-2-carboxamide is NC(N)=NC(=O)c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(diaminomethylidene)furan-2-carboxamide?
The InChIKey is YUWFMESNQAEBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-8-3-1-2-7(6-8)9-4-5-10(18-9)11(17)16-12(14)15/h1-6H,(H4,14,15,16,17).
What are the key properties of 5-(3-chlorophenyl)-N-(diaminomethylidene)furan-2-carboxamide?
5-(3-chlorophenyl)-N-(diaminomethylidene)furan-2-carboxamide has a molecular weight of 263.68 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(diaminomethylidene)furan-2-carboxamide is sourced from PubChem (CID 11300040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).