N-(2-amino-4-fluorophenyl)-4-fluorobenzamide

C13H10F2N2O — CID 16774681

IUPACN-(2-amino-4-fluorophenyl)-4-fluorobenzamide
SMILESNc1cc(F)ccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H10F2N2O/c14-9-3-1-8(2-4-9)13(18)17-12-6-5-10(15)7-11(12)16/h1-7H,16H2,(H,17,18)
InChIKeyGAYZOIXVYKORBU-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.80
Rot. Bonds2

About N-(2-amino-4-fluorophenyl)-4-fluorobenzamide

N-(2-amino-4-fluorophenyl)-4-fluorobenzamide (PubChem CID 16774681) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-fluorobenzamide
PubChem CID16774681
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC NameN-(2-amino-4-fluorophenyl)-4-fluorobenzamide
SMILESNc1cc(F)ccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H10F2N2O/c14-9-3-1-8(2-4-9)13(18)17-12-6-5-10(15)7-11(12)16/h1-7H,16H2,(H,17,18)
InChIKeyGAYZOIXVYKORBU-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-fluorobenzamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-fluorobenzamide (CID 16774681) is N-(2-amino-4-fluorophenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-fluorobenzamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-fluorobenzamide is Nc1cc(F)ccc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-fluorobenzamide?
The InChIKey is GAYZOIXVYKORBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c14-9-3-1-8(2-4-9)13(18)17-12-6-5-10(15)7-11(12)16/h1-7H,16H2,(H,17,18).
What are the key properties of N-(2-amino-4-fluorophenyl)-4-fluorobenzamide?
N-(2-amino-4-fluorophenyl)-4-fluorobenzamide has a molecular weight of 248.23 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 16774681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).