2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide

C14H17Cl2NO2 — CID 115699674

IUPAC2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
SMILESC=C(C)COCCNC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO2/c1-10(2)9-19-6-5-17-14(18)7-11-3-4-12(15)8-13(11)16/h3-4,8H,1,5-7,9H2,2H3,(H,17,18)
InChIKeyDYUOWQRBIIDUJC-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.24
Rot. Bonds7

About 2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide

2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide (PubChem CID 115699674) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
PubChem CID115699674
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
SMILESC=C(C)COCCNC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO2/c1-10(2)9-19-6-5-17-14(18)7-11-3-4-12(15)8-13(11)16/h3-4,8H,1,5-7,9H2,2H3,(H,17,18)
InChIKeyDYUOWQRBIIDUJC-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699527
5-chloro-2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]benzoic acid
CID 114469348
2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 106502213
2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699924
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 9217667
1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 103769234
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 80538312
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115700114
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699987
3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 114469581
N-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide
CID 47038490

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide (CID 115699674) is 2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide is C=C(C)COCCNC(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The InChIKey is DYUOWQRBIIDUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-10(2)9-19-6-5-17-14(18)7-11-3-4-12(15)8-13(11)16/h3-4,8H,1,5-7,9H2,2H3,(H,17,18).
What are the key properties of 2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide has a molecular weight of 302.20 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide is sourced from PubChem (CID 115699674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).