2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide

C11H14ClNO3 — CID 166414676

IUPAC2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide
SMILESCOc1cc(OC)cc(N(C)C(=O)CCl)c1
InChIInChI=1S/C11H14ClNO3/c1-13(11(14)7-12)8-4-9(15-2)6-10(5-8)16-3/h4-6H,7H2,1-3H3
InChIKeyUVRHFVZNNRUTFB-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.91
Rot. Bonds4

About 2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide

2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide (PubChem CID 166414676) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide
PubChem CID166414676
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide
SMILESCOc1cc(OC)cc(N(C)C(=O)CCl)c1
InChIInChI=1S/C11H14ClNO3/c1-13(11(14)7-12)8-4-9(15-2)6-10(5-8)16-3/h4-6H,7H2,1-3H3
InChIKeyUVRHFVZNNRUTFB-UHFFFAOYSA-N
XLogP1.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233
2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
CID 115161877
2-chloro-1-(3,5-dimethoxyphenyl)ethanone
CID 12526559
2-chloro-N-(4-chlorophenyl)-N-methylacetamide
CID 12603569
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
N-(3,5-dimethoxyphenyl)-N-methyl-2-[(1S,2R)-2-phenylcyclopropyl]acetamide
CID 126798924
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
2-chloro-N-ethyl-N-(4-methoxyphenyl)acetamide
CID 53416981
N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide
CID 82093740
2-chloro-N-[(2-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide
CID 82110242
N-(4-bromo-3-methylphenyl)-2-chloro-N-methylacetamide
CID 82093743
2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide
CID 82080926

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide (CID 166414676) is 2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide is COc1cc(OC)cc(N(C)C(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide?
The InChIKey is UVRHFVZNNRUTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-13(11(14)7-12)8-4-9(15-2)6-10(5-8)16-3/h4-6H,7H2,1-3H3.
What are the key properties of 2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide?
2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide has a molecular weight of 243.69 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 166414676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).