2-(4-chloro-3,5-dimethylphenoxy)-N-propan-2-ylacetamide

C13H18ClNO2 — CID 808118

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-propan-2-ylacetamide
SMILESCc1cc(OCC(=O)NC(C)C)cc(C)c1Cl
InChIInChI=1S/C13H18ClNO2/c1-8(2)15-12(16)7-17-11-5-9(3)13(14)10(4)6-11/h5-6,8H,7H2,1-4H3,(H,15,16)
InChIKeyTXTLOPLGMCQMHP-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.86
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylphenoxy)-N-propan-2-ylacetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-propan-2-ylacetamide (PubChem CID 808118) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-propan-2-ylacetamide
PubChem CID808118
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-propan-2-ylacetamide
SMILESCc1cc(OCC(=O)NC(C)C)cc(C)c1Cl
InChIInChI=1S/C13H18ClNO2/c1-8(2)15-12(16)7-17-11-5-9(3)13(14)10(4)6-11/h5-6,8H,7H2,1-4H3,(H,15,16)
InChIKeyTXTLOPLGMCQMHP-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-propan-2-ylacetamide (CID 808118) is 2-(4-chloro-3,5-dimethylphenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-propan-2-ylacetamide is Cc1cc(OCC(=O)NC(C)C)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-propan-2-ylacetamide?
The InChIKey is TXTLOPLGMCQMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-8(2)15-12(16)7-17-11-5-9(3)13(14)10(4)6-11/h5-6,8H,7H2,1-4H3,(H,15,16).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-propan-2-ylacetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-propan-2-ylacetamide has a molecular weight of 255.74 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 808118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).