3-(4-amino-2,6-dichlorophenoxy)propanamide

C9H10Cl2N2O2 — CID 43169605

IUPAC3-(4-amino-2,6-dichlorophenoxy)propanamide
SMILESNC(=O)CCOc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H10Cl2N2O2/c10-6-3-5(12)4-7(11)9(6)15-2-1-8(13)14/h3-4H,1-2,12H2,(H2,13,14)
InChIKeyJQAQBXBPACEYTP-UHFFFAOYSA-N
MW249.10 g/mol
LogP1.83
Rot. Bonds4

About 3-(4-amino-2,6-dichlorophenoxy)propanamide

3-(4-amino-2,6-dichlorophenoxy)propanamide (PubChem CID 43169605) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 3-(4-amino-2,6-dichlorophenoxy)propanamide.

Molecular Properties

Compound Name3-(4-amino-2,6-dichlorophenoxy)propanamide
PubChem CID43169605
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name3-(4-amino-2,6-dichlorophenoxy)propanamide
SMILESNC(=O)CCOc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H10Cl2N2O2/c10-6-3-5(12)4-7(11)9(6)15-2-1-8(13)14/h3-4H,1-2,12H2,(H2,13,14)
InChIKeyJQAQBXBPACEYTP-UHFFFAOYSA-N
XLogP1.83
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide
CID 43169631
5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 107198154
5-amino-3-chloro-2-(3-hydroxypropoxy)benzoic acid
CID 107197581
3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide
CID 43351625
3-[4-(aminomethyl)-3-chlorophenoxy]propanamide
CID 102723769
3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79888639
3-(3-chlorophenoxy)propanamide
CID 23512799
methyl 5-amino-3-chloro-2-pentoxybenzoate
CID 107197652
5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid
CID 106203432
3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline
CID 106891018
5-amino-2-(3-amino-3-oxopropoxy)benzamide
CID 106956094
methyl 5-amino-3-chloro-2-(2-ethoxyethoxy)benzoate
CID 107197296

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2,6-dichlorophenoxy)propanamide?
The IUPAC name of 3-(4-amino-2,6-dichlorophenoxy)propanamide (CID 43169605) is 3-(4-amino-2,6-dichlorophenoxy)propanamide.
What is the SMILES notation for 3-(4-amino-2,6-dichlorophenoxy)propanamide?
The canonical SMILES for 3-(4-amino-2,6-dichlorophenoxy)propanamide is NC(=O)CCOc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 3-(4-amino-2,6-dichlorophenoxy)propanamide?
The InChIKey is JQAQBXBPACEYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c10-6-3-5(12)4-7(11)9(6)15-2-1-8(13)14/h3-4H,1-2,12H2,(H2,13,14).
What are the key properties of 3-(4-amino-2,6-dichlorophenoxy)propanamide?
3-(4-amino-2,6-dichlorophenoxy)propanamide has a molecular weight of 249.10 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2,6-dichlorophenoxy)propanamide is sourced from PubChem (CID 43169605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).