2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide

C11H14ClNO2 — CID 82128305

IUPAC2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide
SMILESCOc1ccc(C)cc1CNC(=O)CCl
InChIInChI=1S/C11H14ClNO2/c1-8-3-4-10(15-2)9(5-8)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyUEJIYPQDZPCQNY-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.86
Rot. Bonds4

About 2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide

2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide (PubChem CID 82128305) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide
PubChem CID82128305
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide
SMILESCOc1ccc(C)cc1CNC(=O)CCl
InChIInChI=1S/C11H14ClNO2/c1-8-3-4-10(15-2)9(5-8)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyUEJIYPQDZPCQNY-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methoxy-5-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163375
3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide
CID 115138980
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
N-[(2-methoxy-5-methylphenyl)methyl]-3-sulfanylpropanamide
CID 115167821
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide
CID 115154960
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
N-ethyl-2-[(2-methoxy-5-methylphenyl)methylamino]acetamide
CID 43406781
2-[(2-methoxy-5-methylphenyl)methylcarbamoyl]butanoic acid
CID 115185960
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide (CID 82128305) is 2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide is COc1ccc(C)cc1CNC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide?
The InChIKey is UEJIYPQDZPCQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8-3-4-10(15-2)9(5-8)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide?
2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide has a molecular weight of 227.69 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide is sourced from PubChem (CID 82128305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).