N-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H18FNO2 — CID 112605497

IUPACN-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1cc(F)cc(NC(=O)COC(C)(C)C)c1
InChIInChI=1S/C13H18FNO2/c1-9-5-10(14)7-11(6-9)15-12(16)8-17-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyPIKNZTBEFCGYPM-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.89
Rot. Bonds3

About N-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112605497) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112605497
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCc1cc(F)cc(NC(=O)COC(C)(C)C)c1
InChIInChI=1S/C13H18FNO2/c1-9-5-10(14)7-11(6-9)15-12(16)8-17-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyPIKNZTBEFCGYPM-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604930
N-(3-fluoro-5-methylphenyl)propanamide
CID 79047082
N-(2,6-dichloro-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605640
N-(3-fluoro-5-methylphenyl)-2-(methylamino)acetamide
CID 79050421
2-(ethylamino)-N-(3-fluoro-5-methylphenyl)acetamide
CID 79049951
N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995368
N-(4-hydroxy-3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602921
N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950267
2-fluoro-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid
CID 112602052
methyl N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]carbamate
CID 115949974
N-(2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604369
2-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylacetamide
CID 112605491

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112605497) is N-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is Cc1cc(F)cc(NC(=O)COC(C)(C)C)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is PIKNZTBEFCGYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9-5-10(14)7-11(6-9)15-12(16)8-17-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16).
What are the key properties of N-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 239.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112605497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).