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

C14H19Cl2N3O2 — CID 61431452

IUPACN-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1c(N)cc(Cl)cc1Cl)CC1CCCO1
InChIInChI=1S/C14H19Cl2N3O2/c1-19(7-10-3-2-4-21-10)8-13(20)18-14-11(16)5-9(15)6-12(14)17/h5-6,10H,2-4,7-8,17H2,1H3,(H,18,20)
InChIKeyNIMPSXYEZFHGLC-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.62
Rot. Bonds5

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

N-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 61431452) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
PubChem CID61431452
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)Nc1c(N)cc(Cl)cc1Cl)CC1CCCO1
InChIInChI=1S/C14H19Cl2N3O2/c1-19(7-10-3-2-4-21-10)8-13(20)18-14-11(16)5-9(15)6-12(14)17/h5-6,10H,2-4,7-8,17H2,1H3,(H,18,20)
InChIKeyNIMPSXYEZFHGLC-UHFFFAOYSA-N
XLogP2.62
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 61431161
N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431738
N-(2-amino-4,6-dichlorophenyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 43540670
N-(4-amino-2,6-dichlorophenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide
CID 62861622
2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 86825120
2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113160309
N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295373
2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 106613623
N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 61430870
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78818567
N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825234

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide (CID 61431452) is N-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide is CN(CC(=O)Nc1c(N)cc(Cl)cc1Cl)CC1CCCO1.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is NIMPSXYEZFHGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2/c1-19(7-10-3-2-4-21-10)8-13(20)18-14-11(16)5-9(15)6-12(14)17/h5-6,10H,2-4,7-8,17H2,1H3,(H,18,20).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide?
N-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 332.23 g/mol, XLogP of 2.62, 5 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-[methyl(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 61431452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).