3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide

C15H20F2N2O2 — CID 113116082

IUPAC3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1F)CC(C)C
InChIInChI=1S/C15H20F2N2O2/c1-10(2)9-19(11(3)20)7-6-15(21)18-14-5-4-12(16)8-13(14)17/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,21)
InChIKeyLYPWXWJQOMTTNR-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.80
Rot. Bonds6

About 3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide

3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide (PubChem CID 113116082) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide
PubChem CID113116082
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1F)CC(C)C
InChIInChI=1S/C15H20F2N2O2/c1-10(2)9-19(11(3)20)7-6-15(21)18-14-5-4-12(16)8-13(14)17/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,21)
InChIKeyLYPWXWJQOMTTNR-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113166624
3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113123156
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119688
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119215
3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113120880
3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113116006
3-[acetyl(2-methylpropyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116007
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113121318
3-(2,4-difluorophenyl)-1-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)urea
CID 60501770
3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113116035
3-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113125479
3-[acetyl(2-methylpropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116041

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide (CID 113116082) is 3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)cc1F)CC(C)C.
What is the InChIKey of 3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide?
The InChIKey is LYPWXWJQOMTTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-10(2)9-19(11(3)20)7-6-15(21)18-14-5-4-12(16)8-13(14)17/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,21).
What are the key properties of 3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide?
3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide has a molecular weight of 298.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 113116082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).