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

C13H16FNO2 — CID 82725770

IUPAC2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCOC2C)c(F)c1
InChIInChI=1S/C13H16FNO2/c1-8-3-4-10(11(14)7-8)13(16)15-12-5-6-17-9(12)2/h3-4,7,9,12H,5-6H2,1-2H3,(H,15,16)
InChIKeyVUFYGRKMLUGING-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.04
Rot. Bonds2

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

2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 82725770) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
PubChem CID82725770
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCOC2C)c(F)c1
InChIInChI=1S/C13H16FNO2/c1-8-3-4-10(11(14)7-8)13(16)15-12-5-6-17-9(12)2/h3-4,7,9,12H,5-6H2,1-2H3,(H,15,16)
InChIKeyVUFYGRKMLUGING-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726276
5-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)benzamide
CID 82736309
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzamide
CID 82736858
2-amino-4-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82727863
5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82726014
4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726426
2-fluoro-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 79765205
2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
CID 103883477
3-methyl-4-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82729228
2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide
CID 79795341
(2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine
CID 97358584
3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82829597

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide (CID 82725770) is 2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide is Cc1ccc(C(=O)NC2CCOC2C)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is VUFYGRKMLUGING-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8-3-4-10(11(14)7-8)13(16)15-12-5-6-17-9(12)2/h3-4,7,9,12H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide?
2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 237.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 82725770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).