4-fluoro-N-[2-oxo-2-[[phenyl(pyridin-4-yl)methyl]amino]ethyl]benzamide

C21H18FN3O2 — CID 44578959

IUPAC4-fluoro-N-[2-oxo-2-[[phenyl(pyridin-4-yl)methyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C21H18FN3O2/c22-18-8-6-17(7-9-18)21(27)24-14-19(26)25-20(15-4-2-1-3-5-15)16-10-12-23-13-11-16/h1-13,20H,14H2,(H,24,27)(H,25,26)
InChIKeyMPYXFPRJIAJIQW-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.86
Rot. Bonds6

About 4-fluoro-N-[2-oxo-2-[[phenyl(pyridin-4-yl)methyl]amino]ethyl]benzamide

4-fluoro-N-[2-oxo-2-[[phenyl(pyridin-4-yl)methyl]amino]ethyl]benzamide (PubChem CID 44578959) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-oxo-2-[[phenyl(pyridin-4-yl)methyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-oxo-2-[[phenyl(pyridin-4-yl)methyl]amino]ethyl]benzamide
PubChem CID44578959
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name4-fluoro-N-[2-oxo-2-[[phenyl(pyridin-4-yl)methyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C21H18FN3O2/c22-18-8-6-17(7-9-18)21(27)24-14-19(26)25-20(15-4-2-1-3-5-15)16-10-12-23-13-11-16/h1-13,20H,14H2,(H,24,27)(H,25,26)
InChIKeyMPYXFPRJIAJIQW-UHFFFAOYSA-N
XLogP2.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-oxo-2-[[phenyl(pyridin-4-yl)methyl]amino]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-oxo-2-[[phenyl(pyridin-4-yl)methyl]amino]ethyl]benzamide (CID 44578959) is 4-fluoro-N-[2-oxo-2-[[phenyl(pyridin-4-yl)methyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-oxo-2-[[phenyl(pyridin-4-yl)methyl]amino]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-oxo-2-[[phenyl(pyridin-4-yl)methyl]amino]ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1)NC(c1ccccc1)c1ccncc1.
What is the InChIKey of 4-fluoro-N-[2-oxo-2-[[phenyl(pyridin-4-yl)methyl]amino]ethyl]benzamide?
The InChIKey is MPYXFPRJIAJIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-18-8-6-17(7-9-18)21(27)24-14-19(26)25-20(15-4-2-1-3-5-15)16-10-12-23-13-11-16/h1-13,20H,14H2,(H,24,27)(H,25,26).
What are the key properties of 4-fluoro-N-[2-oxo-2-[[phenyl(pyridin-4-yl)methyl]amino]ethyl]benzamide?
4-fluoro-N-[2-oxo-2-[[phenyl(pyridin-4-yl)methyl]amino]ethyl]benzamide has a molecular weight of 363.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-oxo-2-[[phenyl(pyridin-4-yl)methyl]amino]ethyl]benzamide is sourced from PubChem (CID 44578959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).