N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide

C12H14Cl2N2O3 — CID 7942051

IUPACN-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
SMILESCC(=O)NCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-8(17)15-4-5-16-12(18)7-19-11-3-2-9(13)6-10(11)14/h2-3,6H,4-5,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyVPKCOGSVQFOSCL-UHFFFAOYSA-N
MW305.16 g/mol
LogP1.62
Rot. Bonds6

About N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide

N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 7942051) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
PubChem CID7942051
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC NameN-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
SMILESCC(=O)NCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-8(17)15-4-5-16-12(18)7-19-11-3-2-9(13)6-10(11)14/h2-3,6H,4-5,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyVPKCOGSVQFOSCL-UHFFFAOYSA-N
XLogP1.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 2454817
2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108572858
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625
2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide
CID 97096056
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide
CID 89195114
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-2-(4-hydroxyphenoxy)propanamide
CID 108539886
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 108541628

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide (CID 7942051) is N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide is CC(=O)NCCNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is VPKCOGSVQFOSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-8(17)15-4-5-16-12(18)7-19-11-3-2-9(13)6-10(11)14/h2-3,6H,4-5,7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide?
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 305.16 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 7942051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).