N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide

C20H24ClNO2 — CID 17093280

IUPACN-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C20H24ClNO2/c1-5-20(3,4)15-7-10-17(11-8-15)24-13-19(23)22-18-12-16(21)9-6-14(18)2/h6-12H,5,13H2,1-4H3,(H,22,23)
InChIKeyJERHZQZSOTXJDZ-UHFFFAOYSA-N
MW345.87 g/mol
LogP5.35
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide

N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (PubChem CID 17093280) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
PubChem CID17093280
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C20H24ClNO2/c1-5-20(3,4)15-7-10-17(11-8-15)24-13-19(23)22-18-12-16(21)9-6-14(18)2/h6-12H,5,13H2,1-4H3,(H,22,23)
InChIKeyJERHZQZSOTXJDZ-UHFFFAOYSA-N
XLogP5.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093188
2-(4-acetamidophenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 964612
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790672
N-(2-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093259
N-(5-chloro-2-methylphenyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 8833683
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604822
N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91688991
N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 46761066
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
CID 126203239
N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178170
N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2554397

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (CID 17093280) is N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide is CCC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The InChIKey is JERHZQZSOTXJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-5-20(3,4)15-7-10-17(11-8-15)24-13-19(23)22-18-12-16(21)9-6-14(18)2/h6-12H,5,13H2,1-4H3,(H,22,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide has a molecular weight of 345.87 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 17093280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).