N-(2-amino-4,6-dichlorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)acetamide

C15H21Cl2N3O — CID 83218850

IUPACN-(2-amino-4,6-dichlorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)acetamide
SMILESCCC1CCC(C)N1CC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O/c1-3-11-5-4-9(2)20(11)8-14(21)19-15-12(17)6-10(16)7-13(15)18/h6-7,9,11H,3-5,8,18H2,1-2H3,(H,19,21)
InChIKeyKBLXJZRTQJUVRT-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.78
Rot. Bonds4

About N-(2-amino-4,6-dichlorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)acetamide

N-(2-amino-4,6-dichlorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)acetamide (PubChem CID 83218850) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)acetamide
PubChem CID83218850
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)acetamide
SMILESCCC1CCC(C)N1CC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O/c1-3-11-5-4-9(2)20(11)8-14(21)19-15-12(17)6-10(16)7-13(15)18/h6-7,9,11H,3-5,8,18H2,1-2H3,(H,19,21)
InChIKeyKBLXJZRTQJUVRT-UHFFFAOYSA-N
XLogP3.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 53.78
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-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62331165
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 29031982
N-(2-amino-4,6-dichlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406947
N-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 29276076
N-(2-amino-4,6-dichlorophenyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 43540670
N-(2-amino-4,6-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43590065
N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide
CID 29292059
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide
CID 43269987
N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 43619929
N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61225560
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)acetamide (CID 83218850) is N-(2-amino-4,6-dichlorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)acetamide is CCC1CCC(C)N1CC(=O)Nc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)acetamide?
The InChIKey is KBLXJZRTQJUVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-3-11-5-4-9(2)20(11)8-14(21)19-15-12(17)6-10(16)7-13(15)18/h6-7,9,11H,3-5,8,18H2,1-2H3,(H,19,21).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)acetamide?
N-(2-amino-4,6-dichlorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)acetamide has a molecular weight of 330.26 g/mol, XLogP of 3.78, 4 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-(2-ethyl-5-methylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 83218850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).