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

C10H9Cl2NO3 — CID 115166291

IUPACN-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C=O)c(Cl)c1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-16-7-3-2-6(9(11)10(7)12)4-13-8(15)5-14/h2-3,5H,4H2,1H3,(H,13,15)
InChIKeyAYLVVRHQAHQCFG-UHFFFAOYSA-N
MW262.09 g/mol
LogP1.82
Rot. Bonds4

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

N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide (PubChem CID 115166291) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide
PubChem CID115166291
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC NameN-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C=O)c(Cl)c1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-16-7-3-2-6(9(11)10(7)12)4-13-8(15)5-14/h2-3,5H,4H2,1H3,(H,13,15)
InChIKeyAYLVVRHQAHQCFG-UHFFFAOYSA-N
XLogP1.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-dichloro-4-methoxyphenyl)methyl]carbamoyl chloride
CID 115194701
(2,3-dichloro-4-methoxyphenyl)methylcarbamic acid
CID 115170906
N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine
CID 82551134
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide
CID 115166223
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 115191205
tert-butyl N-[2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]ethyl]carbamate
CID 103740129
methyl 2,6-dichloro-3-methoxybenzoate
CID 72942143
N-(bromomethyl)-2-(2,3-dichloro-4-methoxyphenyl)ethanamine
CID 115262285
2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide
CID 63627273
N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine
CID 115226587
N'-[(2,3-dichloro-4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 115227073
(E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide
CID 99996164

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide?
The IUPAC name of N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide (CID 115166291) is N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide?
The canonical SMILES for N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide is COc1ccc(CNC(=O)C=O)c(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide?
The InChIKey is AYLVVRHQAHQCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c1-16-7-3-2-6(9(11)10(7)12)4-13-8(15)5-14/h2-3,5H,4H2,1H3,(H,13,15).
What are the key properties of N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide?
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide has a molecular weight of 262.09 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 115166291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).