N-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide

C13H17Cl2NO3 — CID 12624916

IUPACN-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
SMILESCOC(CN(Cc1cccc(Cl)c1Cl)C(C)=O)OC
InChIInChI=1S/C13H17Cl2NO3/c1-9(17)16(8-12(18-2)19-3)7-10-5-4-6-11(14)13(10)15/h4-6,12H,7-8H2,1-3H3
InChIKeyAWXSTDHUZZHLPS-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.96
Rot. Bonds6

About N-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide

N-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide (PubChem CID 12624916) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
PubChem CID12624916
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
SMILESCOC(CN(Cc1cccc(Cl)c1Cl)C(C)=O)OC
InChIInChI=1S/C13H17Cl2NO3/c1-9(17)16(8-12(18-2)19-3)7-10-5-4-6-11(14)13(10)15/h4-6,12H,7-8H2,1-3H3
InChIKeyAWXSTDHUZZHLPS-UHFFFAOYSA-N
XLogP2.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.96
H-Bond Donors ≤ 50
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

N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 51072609
JOH-UNI-0e1753c1-1
CID 156906478
N-[(3,4-dichlorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 45793902
Cambridge id 5424029
CID 782744
N-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
CID 12624917
3,4-Dichlorobenzyl-(2,2-dimethoxyethyl)amine
CID 23077596
N'-(2,3-dichlorobenzyl)-N,N-bis(2-methoxyethyl)urea
CID 122563793
3-(3,4-Dichlorobenzyl)-1,3-oxazolidin-2-one
CID 237187
N-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-ethylacetamide
CID 12435497
N-[(2-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
CID 12624912
N-[(3-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
CID 12624913
N-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
CID 12624915

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide (CID 12624916) is N-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide is COC(CN(Cc1cccc(Cl)c1Cl)C(C)=O)OC.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide?
The InChIKey is AWXSTDHUZZHLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-9(17)16(8-12(18-2)19-3)7-10-5-4-6-11(14)13(10)15/h4-6,12H,7-8H2,1-3H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide?
N-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide has a molecular weight of 306.19 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide is sourced from PubChem (CID 12624916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).