N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H18ClNO2 — CID 112604822

IUPACN-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)COC(C)(C)C
InChIInChI=1S/C13H18ClNO2/c1-9-5-6-10(14)7-11(9)15-12(16)8-17-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyNQXLFRQCVGEDCM-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.40
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604822) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604822
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)COC(C)(C)C
InChIInChI=1S/C13H18ClNO2/c1-9-5-6-10(14)7-11(9)15-12(16)8-17-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyNQXLFRQCVGEDCM-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-acetamido-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950028
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-dimethylbutanoate
CID 2349949
N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602590
N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178170
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 103606661
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
N-(2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604369
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093280
5-(5-chloro-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 5070588
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)amino]acetamide
CID 65106525

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604822) is N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is Cc1ccc(Cl)cc1NC(=O)COC(C)(C)C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is NQXLFRQCVGEDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9-5-6-10(14)7-11(9)15-12(16)8-17-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 255.74 g/mol, XLogP of 3.40, 3 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-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).