2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide

C11H12ClNO3 — CID 116924450

IUPAC2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
SMILESCOc1cc(C)c(Cl)c(C)c1C(=O)C(N)=O
InChIInChI=1S/C11H12ClNO3/c1-5-4-7(16-3)8(6(2)9(5)12)10(14)11(13)15/h4H,1-3H3,(H2,13,15)
InChIKeyQAKSXJOYGAEEJM-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.63
Rot. Bonds3

About 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide

2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide (PubChem CID 116924450) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
PubChem CID116924450
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
SMILESCOc1cc(C)c(Cl)c(C)c1C(=O)C(N)=O
InChIInChI=1S/C11H12ClNO3/c1-5-4-7(16-3)8(6(2)9(5)12)10(14)11(13)15/h4H,1-3H3,(H2,13,15)
InChIKeyQAKSXJOYGAEEJM-UHFFFAOYSA-N
XLogP1.63
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-6-methoxy-2,4-dimethylphenyl)prop-2-enoic acid
CID 82292853
3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide
CID 116846890
(3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone
CID 116917722
1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 110763028
2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide
CID 115152223
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193413
(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone
CID 98022056
2,6-dimethoxy-3,4-dimethylbenzamide
CID 175082400
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-2-oxoacetic acid
CID 82500008
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide
CID 116843880
ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate
CID 110782966
(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110763029

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide (CID 116924450) is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide is COc1cc(C)c(Cl)c(C)c1C(=O)C(N)=O.
What is the InChIKey of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide?
The InChIKey is QAKSXJOYGAEEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-5-4-7(16-3)8(6(2)9(5)12)10(14)11(13)15/h4H,1-3H3,(H2,13,15).
What are the key properties of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide?
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide has a molecular weight of 241.67 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide is sourced from PubChem (CID 116924450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).