2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide

C13H18ClNO2 — CID 84602074

IUPAC2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide
SMILESCCc1cc(OCC(=O)NC(C)C)ccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-4-10-7-11(5-6-12(10)14)17-8-13(16)15-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyUJFPLCFCQSHOJM-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.81
Rot. Bonds5

About 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide

2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide (PubChem CID 84602074) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide
PubChem CID84602074
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide
SMILESCCc1cc(OCC(=O)NC(C)C)ccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-4-10-7-11(5-6-12(10)14)17-8-13(16)15-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyUJFPLCFCQSHOJM-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7642640
2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 112775393
2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 16545130
2-(4-chloro-3-ethylphenoxy)-N-phenylacetamide
CID 7642625
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672
2-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide
CID 39683774
N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide
CID 7642627
2-(3,5-dichlorophenoxy)-N-propan-2-ylacetamide
CID 84603835
2-[(4-chloro-3-ethylphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103066944
2-(4-chloro-3-ethylphenoxy)-N-(2-methylphenyl)acetamide
CID 18074792
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid
CID 43170839
1-(4-chloro-3-ethylphenoxy)propan-2-ol
CID 65277368

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide (CID 84602074) is 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide is CCc1cc(OCC(=O)NC(C)C)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide?
The InChIKey is UJFPLCFCQSHOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-4-10-7-11(5-6-12(10)14)17-8-13(16)15-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide?
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide has a molecular weight of 255.74 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 84602074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).