N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide

C11H14FN3O2 — CID 54862243

IUPACN-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C11H14FN3O2/c1-7(16)14-10-5-8(3-4-9(10)12)15-11(17)6-13-2/h3-5,13H,6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIFUFZBRTIPDGAB-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.94
Rot. Bonds4

About N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide

N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide (PubChem CID 54862243) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
PubChem CID54862243
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC NameN-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C11H14FN3O2/c1-7(16)14-10-5-8(3-4-9(10)12)15-11(17)6-13-2/h3-5,13H,6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIFUFZBRTIPDGAB-UHFFFAOYSA-N
XLogP0.94
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
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CID 52559111
2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide
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CID 62813194
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62845784
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705048
N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide (CID 54862243) is N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide is CNCC(=O)Nc1ccc(F)c(NC(C)=O)c1.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide?
The InChIKey is IFUFZBRTIPDGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-7(16)14-10-5-8(3-4-9(10)12)15-11(17)6-13-2/h3-5,13H,6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide?
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide has a molecular weight of 239.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide is sourced from PubChem (CID 54862243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).