N-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide

C13H18Cl2N2O3 — CID 43107186

IUPACN-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
SMILESCCOCCOC(C)C(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O3/c1-3-19-4-5-20-8(2)13(18)17-12-10(15)6-9(14)7-11(12)16/h6-8H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyFRUSDVRZHOEXAM-UHFFFAOYSA-N
MW321.20 g/mol
LogP2.96
Rot. Bonds7

About N-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide

N-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide (PubChem CID 43107186) has the molecular formula C13H18Cl2N2O3 and a molecular weight of 321.20 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
PubChem CID43107186
Molecular FormulaC13H18Cl2N2O3
Molecular Weight321.20 g/mol
Exact Mass320.07
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
SMILESCCOCCOC(C)C(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O3/c1-3-19-4-5-20-8(2)13(18)17-12-10(15)6-9(14)7-11(12)16/h6-8H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyFRUSDVRZHOEXAM-UHFFFAOYSA-N
XLogP2.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 43093302
N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide
CID 43274116
N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide
CID 43098984
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethoxy)propanamide
CID 119421324
N-(2-amino-4,6-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
CID 43125827
N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide
CID 63686885
N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide
CID 43127069
(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide
CID 61173513
N-(4-amino-2,6-dichlorophenyl)-2-(3,3-dimethylbutoxy)propanamide
CID 66232439
1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one
CID 43798400
N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide
CID 29278396

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide (CID 43107186) is N-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide is CCOCCOC(C)C(=O)Nc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide?
The InChIKey is FRUSDVRZHOEXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3/c1-3-19-4-5-20-8(2)13(18)17-12-10(15)6-9(14)7-11(12)16/h6-8H,3-5,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide?
N-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide has a molecular weight of 321.20 g/mol, XLogP of 2.96, 7 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-(2-ethoxyethoxy)propanamide is sourced from PubChem (CID 43107186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).