3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide

C13H17FN2O — CID 104826148

IUPAC3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CNCC2C)cc1F
InChIInChI=1S/C13H17FN2O/c1-8-3-4-10(5-11(8)14)13(17)16-12-7-15-6-9(12)2/h3-5,9,12,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyNZINBALXGPVNQV-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.47
Rot. Bonds2

About 3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide

3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide (PubChem CID 104826148) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide
PubChem CID104826148
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CNCC2C)cc1F
InChIInChI=1S/C13H17FN2O/c1-8-3-4-10(5-11(8)14)13(17)16-12-7-15-6-9(12)2/h3-5,9,12,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyNZINBALXGPVNQV-UHFFFAOYSA-N
XLogP1.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 113275063
N-(2-aminocyclohexyl)-3-fluoro-4-methylbenzamide
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3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide
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3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide
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5-methyl-N-(4-methylpyrrolidin-3-yl)furan-3-carboxamide
CID 114819355
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 113457504
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119704149
2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone
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3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 43603078

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide (CID 104826148) is 3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide is Cc1ccc(C(=O)NC2CNCC2C)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide?
The InChIKey is NZINBALXGPVNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8-3-4-10(5-11(8)14)13(17)16-12-7-15-6-9(12)2/h3-5,9,12,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide?
3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide has a molecular weight of 236.29 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 104826148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).