2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide

C13H18ClNO2 — CID 60623551

IUPAC2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NCC(C)C)c1
InChIInChI=1S/C13H18ClNO2/c1-9(2)7-15-13(16)8-17-12-6-10(3)4-5-11(12)14/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyOVGAJHYXRVQIPI-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.80
Rot. Bonds5

About 2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide

2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 60623551) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
PubChem CID60623551
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NCC(C)C)c1
InChIInChI=1S/C13H18ClNO2/c1-9(2)7-15-13(16)8-17-12-6-10(3)4-5-11(12)14/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyOVGAJHYXRVQIPI-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771426
2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031935
5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 82010449
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
2-(2-chloro-5-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726337
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 78947098
2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 19165047
2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 18160697
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
CID 45304092
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 63365039
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide (CID 60623551) is 2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide is Cc1ccc(Cl)c(OCC(=O)NCC(C)C)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide?
The InChIKey is OVGAJHYXRVQIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9(2)7-15-13(16)8-17-12-6-10(3)4-5-11(12)14/h4-6,9H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide?
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 255.74 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 60623551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).