2,3-diamino-5-fluorobenzamide

C7H8FN3O — CID 25194665

IUPAC2,3-diamino-5-fluorobenzamide
SMILESNC(=O)c1cc(F)cc(N)c1N
InChIInChI=1S/C7H8FN3O/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,9-10H2,(H2,11,12)
InChIKeyPRPYSRWCZHAEPH-UHFFFAOYSA-N
MW169.16 g/mol
LogP0.09
Rot. Bonds1

About 2,3-diamino-5-fluorobenzamide

2,3-diamino-5-fluorobenzamide (PubChem CID 25194665) has the molecular formula C7H8FN3O and a molecular weight of 169.16 g/mol. Its IUPAC name is 2,3-diamino-5-fluorobenzamide.

Molecular Properties

Compound Name2,3-diamino-5-fluorobenzamide
PubChem CID25194665
Molecular FormulaC7H8FN3O
Molecular Weight169.16 g/mol
Exact Mass169.07
IUPAC Name2,3-diamino-5-fluorobenzamide
SMILESNC(=O)c1cc(F)cc(N)c1N
InChIInChI=1S/C7H8FN3O/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,9-10H2,(H2,11,12)
InChIKeyPRPYSRWCZHAEPH-UHFFFAOYSA-N
XLogP0.09
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-5-fluorobenzamide?
The IUPAC name of 2,3-diamino-5-fluorobenzamide (CID 25194665) is 2,3-diamino-5-fluorobenzamide.
What is the SMILES notation for 2,3-diamino-5-fluorobenzamide?
The canonical SMILES for 2,3-diamino-5-fluorobenzamide is NC(=O)c1cc(F)cc(N)c1N.
What is the InChIKey of 2,3-diamino-5-fluorobenzamide?
The InChIKey is PRPYSRWCZHAEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,9-10H2,(H2,11,12).
What are the key properties of 2,3-diamino-5-fluorobenzamide?
2,3-diamino-5-fluorobenzamide has a molecular weight of 169.16 g/mol, XLogP of 0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-5-fluorobenzamide is sourced from PubChem (CID 25194665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).