N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide

C13H18Cl2N2O3 — CID 29278396

IUPACN-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide
SMILESCOCCOCCCC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O3/c1-19-5-6-20-4-2-3-12(18)17-13-10(15)7-9(14)8-11(13)16/h7-8H,2-6,16H2,1H3,(H,17,18)
InChIKeyZGBZGIDSVVCDLD-UHFFFAOYSA-N
MW321.20 g/mol
LogP2.96
Rot. Bonds8

About N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide

N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide (PubChem CID 29278396) has the molecular formula C13H18Cl2N2O3 and a molecular weight of 321.20 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide
PubChem CID29278396
Molecular FormulaC13H18Cl2N2O3
Molecular Weight321.20 g/mol
Exact Mass320.07
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide
SMILESCOCCOCCCC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O3/c1-19-5-6-20-4-2-3-12(18)17-13-10(15)7-9(14)8-11(13)16/h7-8H,2-6,16H2,1H3,(H,17,18)
InChIKeyZGBZGIDSVVCDLD-UHFFFAOYSA-N
XLogP2.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61428718
N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide
CID 61286405
N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide
CID 43127069
N-(2-amino-4,6-dichlorophenyl)-4-propylsulfanylbutanamide
CID 29043327
N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide
CID 63557212
N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide
CID 66321942
N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide
CID 115941858
N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216
N-(2-amino-4,6-dichlorophenyl)-4-[ethyl(2-hydroxyethyl)amino]butanamide
CID 60981032
N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide
CID 29292059
methyl 2-[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]sulfanylacetate
CID 43617977

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide (CID 29278396) is N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide is COCCOCCCC(=O)Nc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide?
The InChIKey is ZGBZGIDSVVCDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3/c1-19-5-6-20-4-2-3-12(18)17-13-10(15)7-9(14)8-11(13)16/h7-8H,2-6,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide?
N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide has a molecular weight of 321.20 g/mol, XLogP of 2.96, 8 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)-4-(2-methoxyethoxy)butanamide is sourced from PubChem (CID 29278396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).