N-(diaminomethylidene)-2-fluorobenzamide

C8H8FN3O — CID 84549398

IUPACN-(diaminomethylidene)-2-fluorobenzamide
SMILESNC(N)=NC(=O)c1ccccc1F
InChIInChI=1S/C8H8FN3O/c9-6-4-2-1-3-5(6)7(13)12-8(10)11/h1-4H,(H4,10,11,12,13)
InChIKeySUMAXZGZDNDNRQ-UHFFFAOYSA-N
MW181.17 g/mol
LogP0.24
Rot. Bonds1

About N-(diaminomethylidene)-2-fluorobenzamide

N-(diaminomethylidene)-2-fluorobenzamide (PubChem CID 84549398) has the molecular formula C8H8FN3O and a molecular weight of 181.17 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-fluorobenzamide
PubChem CID84549398
Molecular FormulaC8H8FN3O
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC NameN-(diaminomethylidene)-2-fluorobenzamide
SMILESNC(N)=NC(=O)c1ccccc1F
InChIInChI=1S/C8H8FN3O/c9-6-4-2-1-3-5(6)7(13)12-8(10)11/h1-4H,(H4,10,11,12,13)
InChIKeySUMAXZGZDNDNRQ-UHFFFAOYSA-N
XLogP0.24
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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)-2-fluorobenzamide?
The IUPAC name of N-(diaminomethylidene)-2-fluorobenzamide (CID 84549398) is N-(diaminomethylidene)-2-fluorobenzamide.
What is the SMILES notation for N-(diaminomethylidene)-2-fluorobenzamide?
The canonical SMILES for N-(diaminomethylidene)-2-fluorobenzamide is NC(N)=NC(=O)c1ccccc1F.
What is the InChIKey of N-(diaminomethylidene)-2-fluorobenzamide?
The InChIKey is SUMAXZGZDNDNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O/c9-6-4-2-1-3-5(6)7(13)12-8(10)11/h1-4H,(H4,10,11,12,13).
What are the key properties of N-(diaminomethylidene)-2-fluorobenzamide?
N-(diaminomethylidene)-2-fluorobenzamide has a molecular weight of 181.17 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-fluorobenzamide is sourced from PubChem (CID 84549398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).