2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide

C12H16FNO2 — CID 82724689

IUPAC2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCc1ccc(F)c(C(=O)NOC(C)(C)C)c1
InChIInChI=1S/C12H16FNO2/c1-8-5-6-10(13)9(7-8)11(15)14-16-12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyNSJLZWODHDSSAD-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.59
Rot. Bonds2

About 2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide

2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 82724689) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID82724689
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCc1ccc(F)c(C(=O)NOC(C)(C)C)c1
InChIInChI=1S/C12H16FNO2/c1-8-5-6-10(13)9(7-8)11(15)14-16-12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyNSJLZWODHDSSAD-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82723944
N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide
CID 64551129
2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 103895431
2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64557392
N-acetyl-2-fluoro-5-methylbenzamide
CID 62511698
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 91646563
N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide
CID 62511254
N-(3-bromo-2,2-dimethylpropyl)-2-fluoro-5-methylbenzamide
CID 115364948
2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide
CID 115605934
N-(2-amino-4,4-dimethylpentyl)-2-fluoro-5-methylbenzamide
CID 107158423

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide (CID 82724689) is 2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide is Cc1ccc(F)c(C(=O)NOC(C)(C)C)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is NSJLZWODHDSSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8-5-6-10(13)9(7-8)11(15)14-16-12(2,3)4/h5-7H,1-4H3,(H,14,15).
What are the key properties of 2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide?
2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 225.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 82724689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).