2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide

C13H17FN2O2 — CID 104826149

IUPAC2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
SMILESCOc1cccc(F)c1C(=O)NC1CNCC1C
InChIInChI=1S/C13H17FN2O2/c1-8-6-15-7-10(8)16-13(17)12-9(14)4-3-5-11(12)18-2/h3-5,8,10,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyNUNAHQMCUQYSQF-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.17
Rot. Bonds3

About 2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide

2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide (PubChem CID 104826149) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
PubChem CID104826149
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
SMILESCOc1cccc(F)c1C(=O)NC1CNCC1C
InChIInChI=1S/C13H17FN2O2/c1-8-6-15-7-10(8)16-13(17)12-9(14)4-3-5-11(12)18-2/h3-5,8,10,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyNUNAHQMCUQYSQF-UHFFFAOYSA-N
XLogP1.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide
CID 118308174
2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide
CID 107014738
2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide
CID 120553263
N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
CID 105059143
cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675723
3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 113457504
N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide
CID 114309013
N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride
CID 119475803
2-fluoro-6-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 65433806
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide
CID 124811505
2-fluoro-6-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide
CID 65434238
N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 106124687

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide (CID 104826149) is 2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide is COc1cccc(F)c1C(=O)NC1CNCC1C.
What is the InChIKey of 2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide?
The InChIKey is NUNAHQMCUQYSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8-6-15-7-10(8)16-13(17)12-9(14)4-3-5-11(12)18-2/h3-5,8,10,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide?
2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 104826149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).