N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide

C13H16ClNO3 — CID 115175491

IUPACN-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide
SMILESCOc1cc(C)c(Cl)c(C)c1N(C)C(=O)C(C)=O
InChIInChI=1S/C13H16ClNO3/c1-7-6-10(18-5)12(8(2)11(7)14)15(4)13(17)9(3)16/h6H,1-5H3
InChIKeyLHJGIMJEGUXUNQ-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.52
Rot. Bonds3

About N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide

N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide (PubChem CID 115175491) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide.

Molecular Properties

Compound NameN-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide
PubChem CID115175491
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC NameN-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide
SMILESCOc1cc(C)c(Cl)c(C)c1N(C)C(=O)C(C)=O
InChIInChI=1S/C13H16ClNO3/c1-7-6-10(18-5)12(8(2)11(7)14)15(4)13(17)9(3)16/h6H,1-5H3
InChIKeyLHJGIMJEGUXUNQ-UHFFFAOYSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one
CID 115234582
3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline
CID 115258379
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride
CID 115194561
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide
CID 96679162
N-(2-methoxy-4,5-dimethylphenyl)-N-methylacetamide
CID 115190996
N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide
CID 86744650
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-2-oxoacetic acid
CID 82500008
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)prop-2-enoic acid
CID 82292853
N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide
CID 115191032
3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide
CID 116846890
(2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid
CID 115170774

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide?
The IUPAC name of N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide (CID 115175491) is N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide.
What is the SMILES notation for N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide?
The canonical SMILES for N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide is COc1cc(C)c(Cl)c(C)c1N(C)C(=O)C(C)=O.
What is the InChIKey of N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide?
The InChIKey is LHJGIMJEGUXUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-7-6-10(18-5)12(8(2)11(7)14)15(4)13(17)9(3)16/h6H,1-5H3.
What are the key properties of N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide?
N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide has a molecular weight of 269.73 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide is sourced from PubChem (CID 115175491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).