N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide

C11H13ClN2O3 — CID 102605623

IUPACN-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide
SMILESNc1cc(NC(=O)COC2COC2)ccc1Cl
InChIInChI=1S/C11H13ClN2O3/c12-9-2-1-7(3-10(9)13)14-11(15)6-17-8-4-16-5-8/h1-3,8H,4-6,13H2,(H,14,15)
InChIKeyAWUMEMHXTSNYMX-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.28
Rot. Bonds4

About N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide

N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide (PubChem CID 102605623) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide
PubChem CID102605623
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide
SMILESNc1cc(NC(=O)COC2COC2)ccc1Cl
InChIInChI=1S/C11H13ClN2O3/c12-9-2-1-7(3-10(9)13)14-11(15)6-17-8-4-16-5-8/h1-3,8H,4-6,13H2,(H,14,15)
InChIKeyAWUMEMHXTSNYMX-UHFFFAOYSA-N
XLogP1.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16794185
N-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide
CID 114340622
N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide
CID 102605608
N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide
CID 60800025
N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide
CID 16788443
N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668021
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(3-amino-4-chlorophenyl)-2-(2-iodophenoxy)acetamide
CID 43479671
N-(3-amino-4-chlorophenyl)-2-(2-fluorophenoxy)acetamide
CID 16793498
N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide
CID 63556430
N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide
CID 62057025
N-(3-amino-4-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83144848

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide (CID 102605623) is N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide is Nc1cc(NC(=O)COC2COC2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide?
The InChIKey is AWUMEMHXTSNYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-9-2-1-7(3-10(9)13)14-11(15)6-17-8-4-16-5-8/h1-3,8H,4-6,13H2,(H,14,15).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide?
N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide has a molecular weight of 256.69 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide is sourced from PubChem (CID 102605623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).