N-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide

C9H8ClFN2O3 — CID 112551004

IUPACN-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide
SMILESNC(=O)CONC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C9H8ClFN2O3/c10-5-1-2-7(11)6(3-5)9(15)13-16-4-8(12)14/h1-3H,4H2,(H2,12,14)(H,13,15)
InChIKeyZOXOTBHZCVFQTG-UHFFFAOYSA-N
MW246.62 g/mol
LogP0.63
Rot. Bonds4

About N-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide

N-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide (PubChem CID 112551004) has the molecular formula C9H8ClFN2O3 and a molecular weight of 246.62 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide
PubChem CID112551004
Molecular FormulaC9H8ClFN2O3
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC NameN-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide
SMILESNC(=O)CONC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C9H8ClFN2O3/c10-5-1-2-7(11)6(3-5)9(15)13-16-4-8(12)14/h1-3H,4H2,(H2,12,14)(H,13,15)
InChIKeyZOXOTBHZCVFQTG-UHFFFAOYSA-N
XLogP0.63
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 50.63
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-chloro-2-fluorobenzamide 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)-2-fluoro-5-(trifluoromethyl)benzamide
CID 112551178
N-(2-amino-2-oxoethoxy)-5-fluoro-2-hydroxybenzamide
CID 112551215
N-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide
CID 112619998
methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate
CID 86120653
5-chloro-N-cyclopentyloxy-2-fluorobenzamide
CID 83202518
2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide
CID 112674277
N-(1-amino-1-sulfanylidenepentan-2-yl)-5-chloro-2-fluorobenzamide
CID 61120893
2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340977
N-[(2R)-1-aminopropan-2-yl]-5-chloro-2-fluorobenzamide
CID 104873078
3-[(2-amino-2-oxoethoxy)sulfamoyl]-5-chloro-2-fluorobenzoic acid
CID 115992025
N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide
CID 61119919
2-[(3,5-dichlorophenyl)methylamino]oxyacetamide
CID 112672702

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide (CID 112551004) is N-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide is NC(=O)CONC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide?
The InChIKey is ZOXOTBHZCVFQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O3/c10-5-1-2-7(11)6(3-5)9(15)13-16-4-8(12)14/h1-3H,4H2,(H2,12,14)(H,13,15).
What are the key properties of N-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide?
N-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide has a molecular weight of 246.62 g/mol, XLogP of 0.63, 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-chloro-2-fluorobenzamide is sourced from PubChem (CID 112551004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).