3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

C15H20F2N2O3 — CID 110000728

IUPAC3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(=O)NC(CC(=O)NC(C)(C)CO)c1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O3/c1-9(21)18-13(7-14(22)19-15(2,3)8-20)11-5-4-10(16)6-12(11)17/h4-6,13,20H,7-8H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyQBPCGQVGRHFXFH-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.42
Rot. Bonds6

About 3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (PubChem CID 110000728) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is 3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
PubChem CID110000728
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(=O)NC(CC(=O)NC(C)(C)CO)c1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O3/c1-9(21)18-13(7-14(22)19-15(2,3)8-20)11-5-4-10(16)6-12(11)17/h4-6,13,20H,7-8H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyQBPCGQVGRHFXFH-UHFFFAOYSA-N
XLogP1.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide
CID 119382823
3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119500924
3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430545
3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111459564
3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide
CID 119601624
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601784
N-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
CID 119560695
2-[[3-acetamido-3-(2,4-difluorophenyl)propanoyl]-cyclopropylamino]propanoic acid
CID 122067212
(3R)-3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7015494
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576940
(3S)-3-acetamido-3-(4-chloro-2-fluorophenyl)propanoic acid
CID 104980082
2-[3-(2,4-difluorophenyl)butanoylamino]-2-methylpropanoic acid
CID 120515884

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The IUPAC name of 3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (CID 110000728) is 3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.
What is the SMILES notation for 3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The canonical SMILES for 3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is CC(=O)NC(CC(=O)NC(C)(C)CO)c1ccc(F)cc1F.
What is the InChIKey of 3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The InChIKey is QBPCGQVGRHFXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-9(21)18-13(7-14(22)19-15(2,3)8-20)11-5-4-10(16)6-12(11)17/h4-6,13,20H,7-8H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide has a molecular weight of 314.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is sourced from PubChem (CID 110000728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).