N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide

C10H11FN2O3 — CID 112550764

IUPACN-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NOCC(N)=O
InChIInChI=1S/C10H11FN2O3/c1-6-2-3-7(11)4-8(6)10(15)13-16-5-9(12)14/h2-4H,5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyMJWXKWLEPUUTQJ-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.28
Rot. Bonds4

About N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide

N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide (PubChem CID 112550764) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide
PubChem CID112550764
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC NameN-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NOCC(N)=O
InChIInChI=1S/C10H11FN2O3/c1-6-2-3-7(11)4-8(6)10(15)13-16-5-9(12)14/h2-4H,5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyMJWXKWLEPUUTQJ-UHFFFAOYSA-N
XLogP0.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-oxoethoxy)-5-fluoro-2-hydroxybenzamide
CID 112551215
N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide
CID 84594465
(2R)-4-amino-2-[(5-fluoro-2-methylbenzoyl)amino]-4-oxobutanoic acid
CID 94994061
N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide
CID 107261331
N-(3-amino-3-hydroxyiminopropyl)-5-fluoro-2-methylbenzamide
CID 76985782
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
2,4-difluoro-N-[2-(methylamino)-2-oxoethoxy]benzamide
CID 110495725
4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide
CID 112703509
N-(2-amino-2-oxoethoxy)-4-hydroxy-3-methylbenzamide
CID 103958323
2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone
CID 116590821
N-(1-amino-1-hydroxyiminobutan-2-yl)-5-fluoro-2-methylbenzamide
CID 76986011
N-(2-carbamothioyl-4-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82870456

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide (CID 112550764) is N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NOCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide?
The InChIKey is MJWXKWLEPUUTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-6-2-3-7(11)4-8(6)10(15)13-16-5-9(12)14/h2-4H,5H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide?
N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide has a molecular weight of 226.21 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 112550764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).