N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide

C11H14ClNO2 — CID 71171524

IUPACN-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide
SMILESCC(=O)NCCOc1ccc(C)cc1Cl
InChIInChI=1S/C11H14ClNO2/c1-8-3-4-11(10(12)7-8)15-6-5-13-9(2)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyRIOJYXGOOJDMNM-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.16
Rot. Bonds4

About N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide

N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide (PubChem CID 71171524) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide
PubChem CID71171524
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameN-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide
SMILESCC(=O)NCCOc1ccc(C)cc1Cl
InChIInChI=1S/C11H14ClNO2/c1-8-3-4-11(10(12)7-8)15-6-5-13-9(2)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyRIOJYXGOOJDMNM-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
N-[2-(2-bromo-4-methylphenoxy)ethyl]acetamide
CID 3822965
N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide
CID 108882534
2-(2-chloro-5-methylphenoxy)ethylurea
CID 82081437
2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol
CID 2262928
N-[2-(2-chloro-4-methylphenoxy)ethyl]-2-methylpropan-2-amine
CID 2261894
2-(2-acetamidoethoxy)-5-chlorobenzoic acid
CID 60676519
4-(2-chloro-4-methylphenoxy)butanehydrazide
CID 54793096
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
3-(2-chloro-4-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62671685
1-(4-bromophenyl)-3-[2-(2-chloro-5-methylphenoxy)ethyl]urea
CID 112976900

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide?
The IUPAC name of N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide (CID 71171524) is N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide is CC(=O)NCCOc1ccc(C)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide?
The InChIKey is RIOJYXGOOJDMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8-3-4-11(10(12)7-8)15-6-5-13-9(2)14/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide?
N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide has a molecular weight of 227.69 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 71171524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).