N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide

C14H21Cl2N3O — CID 43295373

IUPACN-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
SMILESCCC(C)CN(C)CC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-4-9(2)7-19(3)8-13(20)18-14-11(16)5-10(15)6-12(14)17/h5-6,9H,4,7-8,17H2,1-3H3,(H,18,20)
InChIKeyWGZNWRRDBDNIFL-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.49
Rot. Bonds6

About N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide

N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide (PubChem CID 43295373) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
PubChem CID43295373
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
SMILESCCC(C)CN(C)CC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-4-9(2)7-19(3)8-13(20)18-14-11(16)5-10(15)6-12(14)17/h5-6,9H,4,7-8,17H2,1-3H3,(H,18,20)
InChIKeyWGZNWRRDBDNIFL-UHFFFAOYSA-N
XLogP3.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.49
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-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43376037
2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101399
N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295418
N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334919
N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295413
N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide
CID 43274116
N-(2-amino-4,6-dichlorophenyl)-2-(3-methylbutylsulfanyl)acetamide
CID 107749089
N-(2-amino-4,6-dichlorophenyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 43540670
N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 79380076
N-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431452
ethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate
CID 62013363

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide (CID 43295373) is N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide is CCC(C)CN(C)CC(=O)Nc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide?
The InChIKey is WGZNWRRDBDNIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-4-9(2)7-19(3)8-13(20)18-14-11(16)5-10(15)6-12(14)17/h5-6,9H,4,7-8,17H2,1-3H3,(H,18,20).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide?
N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide has a molecular weight of 318.25 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide is sourced from PubChem (CID 43295373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).