N-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide

C13H17Cl2NO3 — CID 12624917

IUPACN-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
SMILESCOC(CN(Cc1ccc(Cl)c(Cl)c1)C(C)=O)OC
InChIInChI=1S/C13H17Cl2NO3/c1-9(17)16(8-13(18-2)19-3)7-10-4-5-11(14)12(15)6-10/h4-6,13H,7-8H2,1-3H3
InChIKeyWEAGSUMZOZSVID-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.96
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide

N-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide (PubChem CID 12624917) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
PubChem CID12624917
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
SMILESCOC(CN(Cc1ccc(Cl)c(Cl)c1)C(C)=O)OC
InChIInChI=1S/C13H17Cl2NO3/c1-9(17)16(8-13(18-2)19-3)7-10-4-5-11(14)12(15)6-10/h4-6,13H,7-8H2,1-3H3
InChIKeyWEAGSUMZOZSVID-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
4-(3,4-Dichlorobenzyl)-1,4-oxazepan-5-one
CID 72847717
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 25323216
ethyl N-(3,4-dichlorobenzyl)-N-methylglycinate
CID 782393
Cambridge id 5421571
CID 782448
N-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
CID 12624916
3,4-Dichlorobenzyl-(2,2-dimethoxyethyl)amine
CID 23077596
3,4-Dichlorobenzyl-(4,4-dimethoxybutyl)amine
CID 129055850
(4S)-3-(3,4-dichlorobenzyl)-4-isopropyl-1,3-oxazolidin-2-one
CID 72895817
(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)pent-2-enamide
CID 76323268

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide (CID 12624917) is N-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide is COC(CN(Cc1ccc(Cl)c(Cl)c1)C(C)=O)OC.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide?
The InChIKey is WEAGSUMZOZSVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-9(17)16(8-13(18-2)19-3)7-10-4-5-11(14)12(15)6-10/h4-6,13H,7-8H2,1-3H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide?
N-[(3,4-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-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide is sourced from PubChem (CID 12624917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).