3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide

C20H23FN2O2 — CID 42703749

IUPAC3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide
SMILESCC(NC(=O)C(NC(=O)c1cccc(F)c1)C(C)C)c1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-13(2)18(23-19(24)16-10-7-11-17(21)12-16)20(25)22-14(3)15-8-5-4-6-9-15/h4-14,18H,1-3H3,(H,22,25)(H,23,24)
InChIKeyYRQZRHMXMHBIHG-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.46
Rot. Bonds6

About 3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide

3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide (PubChem CID 42703749) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide
PubChem CID42703749
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide
SMILESCC(NC(=O)C(NC(=O)c1cccc(F)c1)C(C)C)c1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-13(2)18(23-19(24)16-10-7-11-17(21)12-16)20(25)22-14(3)15-8-5-4-6-9-15/h4-14,18H,1-3H3,(H,22,25)(H,23,24)
InChIKeyYRQZRHMXMHBIHG-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9110395
N-[1-[1-(4-ethylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 75130560
tert-butyl (2S)-2-[(3-fluorobenzoyl)amino]-3-methylbutanoate
CID 80702490
1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054492
3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide
CID 46757042
2-[(3-fluorobenzoyl)amino]-3-methylpentanoic acid
CID 16774745
4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide
CID 18168796
(2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 88940035
N-(1-bromo-3-methylbutan-2-yl)-3-fluorobenzamide
CID 114315995
3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide
CID 112762442
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
3-[(3-fluorobenzoyl)amino]butanoic acid
CID 43240622

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide (CID 42703749) is 3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide is CC(NC(=O)C(NC(=O)c1cccc(F)c1)C(C)C)c1ccccc1.
What is the InChIKey of 3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide?
The InChIKey is YRQZRHMXMHBIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-13(2)18(23-19(24)16-10-7-11-17(21)12-16)20(25)22-14(3)15-8-5-4-6-9-15/h4-14,18H,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide?
3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide has a molecular weight of 342.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 42703749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).