4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide

C17H18FN3O2 — CID 112993682

IUPAC4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
SMILESCN(CCc1ccncc1)C(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2/c1-21(11-8-13-6-9-19-10-7-13)16(22)12-20-17(23)14-2-4-15(18)5-3-14/h2-7,9-10H,8,11-12H2,1H3,(H,20,23)
InChIKeyOQSGBJABNTWWCH-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.65
Rot. Bonds6

About 4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide

4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide (PubChem CID 112993682) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
PubChem CID112993682
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
SMILESCN(CCc1ccncc1)C(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2/c1-21(11-8-13-6-9-19-10-7-13)16(22)12-20-17(23)14-2-4-15(18)5-3-14/h2-7,9-10H,8,11-12H2,1H3,(H,20,23)
InChIKeyOQSGBJABNTWWCH-UHFFFAOYSA-N
XLogP1.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 99274260
2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 112993738
3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993687
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
2-amino-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]acetamide
CID 54944012
2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
CID 112993675
2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993686
1-N-[(2-fluorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109047167
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942343
N-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 167956739
4-N-[(4-fluorophenyl)methyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109086492
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide
CID 109001618

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide (CID 112993682) is 4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide is CN(CCc1ccncc1)C(=O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is OQSGBJABNTWWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-21(11-8-13-6-9-19-10-7-13)16(22)12-20-17(23)14-2-4-15(18)5-3-14/h2-7,9-10H,8,11-12H2,1H3,(H,20,23).
What are the key properties of 4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 315.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 112993682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).