2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide

C13H17FN2O — CID 80710472

IUPAC2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCc1cccc(C(=O)NC2CCN(C)C2)c1F
InChIInChI=1S/C13H17FN2O/c1-9-4-3-5-11(12(9)14)13(17)15-10-6-7-16(2)8-10/h3-5,10H,6-8H2,1-2H3,(H,15,17)
InChIKeyPYHIJHFKZWHKNI-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.57
Rot. Bonds2

About 2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide

2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide (PubChem CID 80710472) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
PubChem CID80710472
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCc1cccc(C(=O)NC2CCN(C)C2)c1F
InChIInChI=1S/C13H17FN2O/c1-9-4-3-5-11(12(9)14)13(17)15-10-6-7-16(2)8-10/h3-5,10H,6-8H2,1-2H3,(H,15,17)
InChIKeyPYHIJHFKZWHKNI-UHFFFAOYSA-N
XLogP1.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide (CID 80710472) is 2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide is Cc1cccc(C(=O)NC2CCN(C)C2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide?
The InChIKey is PYHIJHFKZWHKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-4-3-5-11(12(9)14)13(17)15-10-6-7-16(2)8-10/h3-5,10H,6-8H2,1-2H3,(H,15,17).
What are the key properties of 2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide?
2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide has a molecular weight of 236.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 80710472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).