N-(2-amino-4-fluorophenyl)-3-oxobutanamide

C10H11FN2O2 — CID 110477415

IUPACN-(2-amino-4-fluorophenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C10H11FN2O2/c1-6(14)4-10(15)13-9-3-2-7(11)5-8(9)12/h2-3,5H,4,12H2,1H3,(H,13,15)
InChIKeyQCWJZMSSMGNMFJ-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.33
Rot. Bonds3

About N-(2-amino-4-fluorophenyl)-3-oxobutanamide

N-(2-amino-4-fluorophenyl)-3-oxobutanamide (PubChem CID 110477415) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-oxobutanamide
PubChem CID110477415
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC NameN-(2-amino-4-fluorophenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C10H11FN2O2/c1-6(14)4-10(15)13-9-3-2-7(11)5-8(9)12/h2-3,5H,4,12H2,1H3,(H,13,15)
InChIKeyQCWJZMSSMGNMFJ-UHFFFAOYSA-N
XLogP1.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-oxobutanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-oxobutanamide (CID 110477415) is N-(2-amino-4-fluorophenyl)-3-oxobutanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-oxobutanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-oxobutanamide is CC(=O)CC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-oxobutanamide?
The InChIKey is QCWJZMSSMGNMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-6(14)4-10(15)13-9-3-2-7(11)5-8(9)12/h2-3,5H,4,12H2,1H3,(H,13,15).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-oxobutanamide?
N-(2-amino-4-fluorophenyl)-3-oxobutanamide has a molecular weight of 210.21 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-3-oxobutanamide is sourced from PubChem (CID 110477415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).