3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide

C13H17FN2O2 — CID 82726425

IUPAC3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCc1c(N)cc(C(=O)NC2CCOC2C)cc1F
InChIInChI=1S/C13H17FN2O2/c1-7-10(14)5-9(6-11(7)15)13(17)16-12-3-4-18-8(12)2/h5-6,8,12H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyOLUIOBSLZOKYEK-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.62
Rot. Bonds2

About 3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide

3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 82726425) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
PubChem CID82726425
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCc1c(N)cc(C(=O)NC2CCOC2C)cc1F
InChIInChI=1S/C13H17FN2O2/c1-7-10(14)5-9(6-11(7)15)13(17)16-12-3-4-18-8(12)2/h5-6,8,12H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyOLUIOBSLZOKYEK-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide
CID 62396682
3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide
CID 82737326
3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide
CID 63994254
3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
CID 60861850
3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
CID 82729062
3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 114011379
2-amino-4-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82727863
5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82726014
3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide
CID 99606496
3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide
CID 82725612
3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide
CID 82731669
2-fluoro-5-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726276

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide (CID 82726425) is 3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide is Cc1c(N)cc(C(=O)NC2CCOC2C)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is OLUIOBSLZOKYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-7-10(14)5-9(6-11(7)15)13(17)16-12-3-4-18-8(12)2/h5-6,8,12H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide?
3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 82726425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).