2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide

C11H15ClN2O2 — CID 15013175

IUPAC2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
SMILESCN(C)CNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O2/c1-14(2)8-13-11(15)7-16-10-5-3-9(12)4-6-10/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyDXUXWNAANXHFMR-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.35
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide

2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide (PubChem CID 15013175) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
PubChem CID15013175
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
SMILESCN(C)CNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O2/c1-14(2)8-13-11(15)7-16-10-5-3-9(12)4-6-10/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyDXUXWNAANXHFMR-UHFFFAOYSA-N
XLogP1.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110229
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108573295
N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide
CID 113053780
2-(4-chlorophenoxy)-N-[4-[2-(dimethylamino)ethylamino]phenyl]acetamide
CID 112981318
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide
CID 62658790
2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113681
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide
CID 108573287

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide (CID 15013175) is 2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide is CN(C)CNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide?
The InChIKey is DXUXWNAANXHFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-14(2)8-13-11(15)7-16-10-5-3-9(12)4-6-10/h3-6H,7-8H2,1-2H3,(H,13,15).
What are the key properties of 2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide?
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide has a molecular weight of 242.71 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide is sourced from PubChem (CID 15013175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).