N-(diaminomethylidene)-5-(5-fluoro-2-methoxyphenyl)furan-2-carboxamide

C13H12FN3O3 — CID 11391762

IUPACN-(diaminomethylidene)-5-(5-fluoro-2-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(C(=O)N=C(N)N)o1
InChIInChI=1S/C13H12FN3O3/c1-19-9-3-2-7(14)6-8(9)10-4-5-11(20-10)12(18)17-13(15)16/h2-6H,1H3,(H4,15,16,17,18)
InChIKeyVAGPQSSGJRPPGJ-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.51
Rot. Bonds3

About N-(diaminomethylidene)-5-(5-fluoro-2-methoxyphenyl)furan-2-carboxamide

N-(diaminomethylidene)-5-(5-fluoro-2-methoxyphenyl)furan-2-carboxamide (PubChem CID 11391762) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-(5-fluoro-2-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-(5-fluoro-2-methoxyphenyl)furan-2-carboxamide
PubChem CID11391762
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC NameN-(diaminomethylidene)-5-(5-fluoro-2-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(C(=O)N=C(N)N)o1
InChIInChI=1S/C13H12FN3O3/c1-19-9-3-2-7(14)6-8(9)10-4-5-11(20-10)12(18)17-13(15)16/h2-6H,1H3,(H4,15,16,17,18)
InChIKeyVAGPQSSGJRPPGJ-UHFFFAOYSA-N
XLogP1.51
TPSA103.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
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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Related Compounds

KR-32568
CID 11368995
N-(5-o-Tolyl-furan-2-carbonyl)-guanidine
CID 11218749
N-[5-(2-Ethyl-phenyl)-furan-2-carbonyl]-guanidine
CID 11172909
N-(5-m-Tolyl-furan-2-carbonyl)-guanidine
CID 11390872
N-(5-Phenyl-furan-2-carbonyl)-guanidine
CID 11470226
4-[(4-Carbamoylphenoxy)methyl]-5-methylfuran-2-carboxamide
CID 823810
N-[5-(5-Chloro-2-hydroxy-phenyl)-furan-2-carbonyl]-guanidine
CID 11153069
N-[5-(2,5-Dimethyl-phenyl)-furan-2-carbonyl]-guanidine
CID 11230628
N-[5-(3-Chloro-phenyl)-furan-2-carbonyl]-guanidine
CID 11300040
N-[5-(5-Chloro-2-ethoxy-phenyl)-furan-2-carbonyl]-guanidine
CID 11324276
N-[5-(5-Chloro-2-isopropoxy-phenyl)-furan-2-carbonyl]-guanidine
CID 11393090
KR-32570
CID 11403628

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-5-(5-fluoro-2-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5-(5-fluoro-2-methoxyphenyl)furan-2-carboxamide (CID 11391762) is N-(diaminomethylidene)-5-(5-fluoro-2-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5-(5-fluoro-2-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5-(5-fluoro-2-methoxyphenyl)furan-2-carboxamide is COc1ccc(F)cc1-c1ccc(C(=O)N=C(N)N)o1.
What is the InChIKey of N-(diaminomethylidene)-5-(5-fluoro-2-methoxyphenyl)furan-2-carboxamide?
The InChIKey is VAGPQSSGJRPPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-19-9-3-2-7(14)6-8(9)10-4-5-11(20-10)12(18)17-13(15)16/h2-6H,1H3,(H4,15,16,17,18).
What are the key properties of N-(diaminomethylidene)-5-(5-fluoro-2-methoxyphenyl)furan-2-carboxamide?
N-(diaminomethylidene)-5-(5-fluoro-2-methoxyphenyl)furan-2-carboxamide has a molecular weight of 277.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-(5-fluoro-2-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 11391762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).