4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid

C17H17FN2O5 — CID 90483378

IUPAC4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
SMILESCN(CCc1ccccn1)C(=O)c1ccc(F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H15FN2O.C2H2O4/c1-18(11-9-14-4-2-3-10-17-14)15(19)12-5-7-13(16)8-6-12;3-1(4)2(5)6/h2-8,10H,9,11H2,1H3;(H,3,4)(H,5,6)
InChIKeyZHPOIEQHPRQWSP-UHFFFAOYSA-N
MW348.33 g/mol
LogP1.69
Rot. Bonds4

About 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid

4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid (PubChem CID 90483378) has the molecular formula C17H17FN2O5 and a molecular weight of 348.33 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
PubChem CID90483378
Molecular FormulaC17H17FN2O5
Molecular Weight348.33 g/mol
Exact Mass348.11
IUPAC Name4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
SMILESCN(CCc1ccccn1)C(=O)c1ccc(F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H15FN2O.C2H2O4/c1-18(11-9-14-4-2-3-10-17-14)15(19)12-5-7-13(16)8-6-12;3-1(4)2(5)6/h2-8,10H,9,11H2,1H3;(H,3,4)(H,5,6)
InChIKeyZHPOIEQHPRQWSP-UHFFFAOYSA-N
XLogP1.69
TPSA107.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 66463680
4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084436
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 134008705
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid?
The IUPAC name of 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid (CID 90483378) is 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid.
What is the SMILES notation for 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid?
The canonical SMILES for 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid is CN(CCc1ccccn1)C(=O)c1ccc(F)cc1.O=C(O)C(=O)O.
What is the InChIKey of 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid?
The InChIKey is ZHPOIEQHPRQWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O.C2H2O4/c1-18(11-9-14-4-2-3-10-17-14)15(19)12-5-7-13(16)8-6-12;3-1(4)2(5)6/h2-8,10H,9,11H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid?
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid has a molecular weight of 348.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid is sourced from PubChem (CID 90483378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).