3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide

C20H23FN2O2 — CID 78802467

IUPAC3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide
SMILESCC(C)CC(NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-14(2)11-18(15-7-4-3-5-8-15)23-19(24)13-22-20(25)16-9-6-10-17(21)12-16/h3-10,12,14,18H,11,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyXKZHWYUIWNMUMA-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.46
Rot. Bonds7

About 3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide

3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide (PubChem CID 78802467) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide
PubChem CID78802467
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide
SMILESCC(C)CC(NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-14(2)11-18(15-7-4-3-5-8-15)23-19(24)13-22-20(25)16-9-6-10-17(21)12-16/h3-10,12,14,18H,11,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyXKZHWYUIWNMUMA-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 47035362
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3,5-difluorobenzoate
CID 8533848
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
N-(3-amino-3-phenylpropyl)-3-fluorobenzamide
CID 80506781
3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
CID 107299544
methyl 3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]butanoate
CID 78825239
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride
CID 119689331
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
3-fluoro-N-(1-phenylpentyl)benzamide
CID 2941019

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide (CID 78802467) is 3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide is CC(C)CC(NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of 3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide?
The InChIKey is XKZHWYUIWNMUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14(2)11-18(15-7-4-3-5-8-15)23-19(24)13-22-20(25)16-9-6-10-17(21)12-16/h3-10,12,14,18H,11,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide?
3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide has a molecular weight of 342.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 78802467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).