4-acetamido-N-(2-amino-4-fluorophenyl)benzamide

C15H14FN3O2 — CID 72734382

IUPAC4-acetamido-N-(2-amino-4-fluorophenyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)cc1
InChIInChI=1S/C15H14FN3O2/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyRRJDFENBXIEAPD-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.62
Rot. Bonds3

About 4-acetamido-N-(2-amino-4-fluorophenyl)benzamide

4-acetamido-N-(2-amino-4-fluorophenyl)benzamide (PubChem CID 72734382) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-acetamido-N-(2-amino-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(2-amino-4-fluorophenyl)benzamide
PubChem CID72734382
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name4-acetamido-N-(2-amino-4-fluorophenyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)cc1
InChIInChI=1S/C15H14FN3O2/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyRRJDFENBXIEAPD-UHFFFAOYSA-N
XLogP2.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.62
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 4-acetamido-N-(2-amino-4-fluorophenyl)benzamide?
The IUPAC name of 4-acetamido-N-(2-amino-4-fluorophenyl)benzamide (CID 72734382) is 4-acetamido-N-(2-amino-4-fluorophenyl)benzamide.
What is the SMILES notation for 4-acetamido-N-(2-amino-4-fluorophenyl)benzamide?
The canonical SMILES for 4-acetamido-N-(2-amino-4-fluorophenyl)benzamide is CC(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)cc1.
What is the InChIKey of 4-acetamido-N-(2-amino-4-fluorophenyl)benzamide?
The InChIKey is RRJDFENBXIEAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-acetamido-N-(2-amino-4-fluorophenyl)benzamide?
4-acetamido-N-(2-amino-4-fluorophenyl)benzamide has a molecular weight of 287.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2-amino-4-fluorophenyl)benzamide is sourced from PubChem (CID 72734382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).