N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide

C14H20Cl2N2O2 — CID 103283073

IUPACN-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide
SMILESCCCC(C)COCC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2/c1-3-4-9(2)7-20-8-13(19)18-14-11(15)5-10(17)6-12(14)16/h5-6,9H,3-4,7-8,17H2,1-2H3,(H,18,19)
InChIKeyVMCYOFYILPRMQB-UHFFFAOYSA-N
MW319.23 g/mol
LogP3.97
Rot. Bonds7

About N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide

N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide (PubChem CID 103283073) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide
PubChem CID103283073
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide
SMILESCCCC(C)COCC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2/c1-3-4-9(2)7-20-8-13(19)18-14-11(15)5-10(17)6-12(14)16/h5-6,9H,3-4,7-8,17H2,1-2H3,(H,18,19)
InChIKeyVMCYOFYILPRMQB-UHFFFAOYSA-N
XLogP3.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.97
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

N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide
CID 102980723
N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide
CID 102980777
N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
CID 43382327
N-(4-amino-2,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 43093302
N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82004014
N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide
CID 61286801
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide
CID 61304432
N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334919
N-(4-amino-2,6-dichlorophenyl)-2-methoxypropanamide
CID 16782940
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide
CID 43444834
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide
CID 61302841

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide (CID 103283073) is N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide is CCCC(C)COCC(=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide?
The InChIKey is VMCYOFYILPRMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-3-4-9(2)7-20-8-13(19)18-14-11(15)5-10(17)6-12(14)16/h5-6,9H,3-4,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide?
N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide has a molecular weight of 319.23 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide is sourced from PubChem (CID 103283073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).