N-(diaminomethylidene)-5-(3,5-difluorophenyl)furan-2-carboxamide

C12H9F2N3O2 — CID 11149755

IUPACN-(diaminomethylidene)-5-(3,5-difluorophenyl)furan-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc(-c2cc(F)cc(F)c2)o1
InChIInChI=1S/C12H9F2N3O2/c13-7-3-6(4-8(14)5-7)9-1-2-10(19-9)11(18)17-12(15)16/h1-5H,(H4,15,16,17,18)
InChIKeyVGEVGQDYYKKIQB-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.64
Rot. Bonds2

About N-(diaminomethylidene)-5-(3,5-difluorophenyl)furan-2-carboxamide

N-(diaminomethylidene)-5-(3,5-difluorophenyl)furan-2-carboxamide (PubChem CID 11149755) has the molecular formula C12H9F2N3O2 and a molecular weight of 265.22 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-(3,5-difluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-(3,5-difluorophenyl)furan-2-carboxamide
PubChem CID11149755
Molecular FormulaC12H9F2N3O2
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC NameN-(diaminomethylidene)-5-(3,5-difluorophenyl)furan-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc(-c2cc(F)cc(F)c2)o1
InChIInChI=1S/C12H9F2N3O2/c13-7-3-6(4-8(14)5-7)9-1-2-10(19-9)11(18)17-12(15)16/h1-5H,(H4,15,16,17,18)
InChIKeyVGEVGQDYYKKIQB-UHFFFAOYSA-N
XLogP1.64
TPSA94.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.64
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 N-(diaminomethylidene)-5-(3,5-difluorophenyl)furan-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5-(3,5-difluorophenyl)furan-2-carboxamide (CID 11149755) is N-(diaminomethylidene)-5-(3,5-difluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5-(3,5-difluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5-(3,5-difluorophenyl)furan-2-carboxamide is NC(N)=NC(=O)c1ccc(-c2cc(F)cc(F)c2)o1.
What is the InChIKey of N-(diaminomethylidene)-5-(3,5-difluorophenyl)furan-2-carboxamide?
The InChIKey is VGEVGQDYYKKIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2/c13-7-3-6(4-8(14)5-7)9-1-2-10(19-9)11(18)17-12(15)16/h1-5H,(H4,15,16,17,18).
What are the key properties of N-(diaminomethylidene)-5-(3,5-difluorophenyl)furan-2-carboxamide?
N-(diaminomethylidene)-5-(3,5-difluorophenyl)furan-2-carboxamide has a molecular weight of 265.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-(3,5-difluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 11149755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).