2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide

C14H18ClNO2 — CID 82108611

IUPAC2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide
SMILESC=CCc1ccccc1OCCN(C)C(=O)CCl
InChIInChI=1S/C14H18ClNO2/c1-3-6-12-7-4-5-8-13(12)18-10-9-16(2)14(17)11-15/h3-5,7-8H,1,6,9-11H2,2H3
InChIKeyWHLBMIYGWRXFDQ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.49
Rot. Bonds7

About 2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide

2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide (PubChem CID 82108611) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide
PubChem CID82108611
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide
SMILESC=CCc1ccccc1OCCN(C)C(=O)CCl
InChIInChI=1S/C14H18ClNO2/c1-3-6-12-7-4-5-8-13(12)18-10-9-16(2)14(17)11-15/h3-5,7-8H,1,6,9-11H2,2H3
InChIKeyWHLBMIYGWRXFDQ-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 2184313
methyl 4-(2-prop-2-enylphenoxy)butanoate
CID 43608103
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 39366816
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
2-(2-prop-2-enylphenoxy)ethanamine chloride
CID 21228786
N-(2-methoxyethyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 2072678
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-prop-2-enylphenoxy)ethanamine
CID 46987913
1-(2-prop-2-enylphenoxy)pentan-2-one
CID 62044058
(2-prop-2-enylphenyl) 2-oxoacetate
CID 87234163
(2-prop-2-enylphenyl) acetate;dihydrobromide
CID 70043796
methyl 2,2-dimethyl-3-(2-prop-2-enylphenoxy)propanoate
CID 79622880
2-methyl-4-(2-prop-2-enylphenoxy)but-2-enoic acid
CID 77075220

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide?
The IUPAC name of 2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide (CID 82108611) is 2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide is C=CCc1ccccc1OCCN(C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide?
The InChIKey is WHLBMIYGWRXFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-3-6-12-7-4-5-8-13(12)18-10-9-16(2)14(17)11-15/h3-5,7-8H,1,6,9-11H2,2H3.
What are the key properties of 2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide?
2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide has a molecular weight of 267.76 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide is sourced from PubChem (CID 82108611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).