N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide

C11H13Cl2NO2 — CID 115191205

IUPACN-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(C)=O)c(Cl)c1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-7(15)14(2)6-8-4-5-9(16-3)11(13)10(8)12/h4-5H,6H2,1-3H3
InChIKeyGSMJNEZVDPKIEV-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.98
Rot. Bonds3

About N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide

N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 115191205) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID115191205
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC NameN-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(C)=O)c(Cl)c1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-7(15)14(2)6-8-4-5-9(16-3)11(13)10(8)12/h4-5H,6H2,1-3H3
InChIKeyGSMJNEZVDPKIEV-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide
CID 115191161
N-[[5-[[acetyl(methyl)amino]methyl]-2,4-dimethoxyphenyl]methyl]-N-methylacetamide
CID 50941876
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylethanamine
CID 115259497
N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 115227073
(2,3-dichloro-4-methoxyphenyl)methylcarbamic acid
CID 115170906
N-[(2,3-dichloro-4-methoxyphenyl)methyl]carbamoyl chloride
CID 115194701
2-[(2-chloro-3,4-dimethoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65060890
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine
CID 82551134
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide
CID 115166291
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194800
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide (CID 115191205) is N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(C)=O)c(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is GSMJNEZVDPKIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-7(15)14(2)6-8-4-5-9(16-3)11(13)10(8)12/h4-5H,6H2,1-3H3.
What are the key properties of N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide?
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 262.14 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 115191205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).