2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide

C12H14Cl2N2O2 — CID 43351652

IUPAC2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide
SMILESNc1cc(Cl)c(OCC(=O)NCC2CC2)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c13-9-3-8(15)4-10(14)12(9)18-6-11(17)16-5-7-1-2-7/h3-4,7H,1-2,5-6,15H2,(H,16,17)
InChIKeyGTYRQLMGWNKOIT-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.48
Rot. Bonds5

About 2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide

2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide (PubChem CID 43351652) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide
PubChem CID43351652
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide
SMILESNc1cc(Cl)c(OCC(=O)NCC2CC2)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c13-9-3-8(15)4-10(14)12(9)18-6-11(17)16-5-7-1-2-7/h3-4,7H,1-2,5-6,15H2,(H,16,17)
InChIKeyGTYRQLMGWNKOIT-UHFFFAOYSA-N
XLogP2.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.48
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
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 28898320
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide
CID 112614976
N-(cyclopropylmethyl)-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
CID 30432553
2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 62019069
2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 61486362
2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
CID 116541398
2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
CID 65430722
N-(cyclopropylmethyl)-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]acetamide
CID 43516699
N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide
CID 154693316
2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide
CID 47443106
N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide
CID 29053888

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide (CID 43351652) is 2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide is Nc1cc(Cl)c(OCC(=O)NCC2CC2)c(Cl)c1.
What is the InChIKey of 2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide?
The InChIKey is GTYRQLMGWNKOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c13-9-3-8(15)4-10(14)12(9)18-6-11(17)16-5-7-1-2-7/h3-4,7H,1-2,5-6,15H2,(H,16,17).
What are the key properties of 2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide?
2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide has a molecular weight of 289.16 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 43351652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).