2-fluoro-5-[[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]amino]benzamide

C20H22FN3O2 — CID 51124467

IUPAC2-fluoro-5-[[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]amino]benzamide
SMILESCN(C(=O)CNc1ccc(F)c(C(N)=O)c1)C1CCCc2ccccc21
InChIInChI=1S/C20H22FN3O2/c1-24(18-8-4-6-13-5-2-3-7-15(13)18)19(25)12-23-14-9-10-17(21)16(11-14)20(22)26/h2-3,5,7,9-11,18,23H,4,6,8,12H2,1H3,(H2,22,26)
InChIKeyRZLWZHDYAMPVGD-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.87
Rot. Bonds5

About 2-fluoro-5-[[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]amino]benzamide

2-fluoro-5-[[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]amino]benzamide (PubChem CID 51124467) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-fluoro-5-[[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]amino]benzamide
PubChem CID51124467
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name2-fluoro-5-[[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]amino]benzamide
SMILESCN(C(=O)CNc1ccc(F)c(C(N)=O)c1)C1CCCc2ccccc21
InChIInChI=1S/C20H22FN3O2/c1-24(18-8-4-6-13-5-2-3-7-15(13)18)19(25)12-23-14-9-10-17(21)16(11-14)20(22)26/h2-3,5,7,9-11,18,23H,4,6,8,12H2,1H3,(H2,22,26)
InChIKeyRZLWZHDYAMPVGD-UHFFFAOYSA-N
XLogP2.87
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8624932
2-(tert-butylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 112724240
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 9348216
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 9348212
N-methyl-2-[(2-methylcyclohexyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 112799932
3-(ethylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 3064453
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646
2-amino-N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 60937239
N-cyclopropyl-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 8910380
4-hydroxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 79200379
(2S)-2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 54980190
[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 55368026

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-fluoro-5-[[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]amino]benzamide (CID 51124467) is 2-fluoro-5-[[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-fluoro-5-[[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-fluoro-5-[[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]amino]benzamide is CN(C(=O)CNc1ccc(F)c(C(N)=O)c1)C1CCCc2ccccc21.
What is the InChIKey of 2-fluoro-5-[[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]amino]benzamide?
The InChIKey is RZLWZHDYAMPVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-24(18-8-4-6-13-5-2-3-7-15(13)18)19(25)12-23-14-9-10-17(21)16(11-14)20(22)26/h2-3,5,7,9-11,18,23H,4,6,8,12H2,1H3,(H2,22,26).
What are the key properties of 2-fluoro-5-[[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]amino]benzamide?
2-fluoro-5-[[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]amino]benzamide has a molecular weight of 355.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 51124467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).