N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide

C12H14Cl2N2O3 — CID 63556430

IUPACN-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)COC1CCOC1
InChIInChI=1S/C12H14Cl2N2O3/c13-7-3-9(14)12(10(15)4-7)16-11(17)6-19-8-1-2-18-5-8/h3-4,8H,1-2,5-6,15H2,(H,16,17)
InChIKeyKXCOFGGHATZTDL-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.32
Rot. Bonds4

About N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide

N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide (PubChem CID 63556430) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide
PubChem CID63556430
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)COC1CCOC1
InChIInChI=1S/C12H14Cl2N2O3/c13-7-3-9(14)12(10(15)4-7)16-11(17)6-19-8-1-2-18-5-8/h3-4,8H,1-2,5-6,15H2,(H,16,17)
InChIKeyKXCOFGGHATZTDL-UHFFFAOYSA-N
XLogP2.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.32
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-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide
CID 63557212
N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 55218804
N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide
CID 63557017
N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide
CID 43127069
N-(5-amino-2-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 63556820
N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide
CID 63556620
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide
CID 63557224
N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide
CID 102605623
1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone
CID 55225720
N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287148
N-(2-amino-4,6-dichlorophenyl)-2-(4-fluorophenoxy)acetamide
CID 29033166
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 29031982

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide (CID 63556430) is N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide is Nc1cc(Cl)cc(Cl)c1NC(=O)COC1CCOC1.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide?
The InChIKey is KXCOFGGHATZTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c13-7-3-9(14)12(10(15)4-7)16-11(17)6-19-8-1-2-18-5-8/h3-4,8H,1-2,5-6,15H2,(H,16,17).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide?
N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide has a molecular weight of 305.16 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide is sourced from PubChem (CID 63556430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).