3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide

C13H17F2N3O2 — CID 119382823

IUPAC3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide
SMILESCC(=O)NC(CC(=O)NCCN)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2N3O2/c1-8(19)18-12(7-13(20)17-5-4-16)10-3-2-9(14)6-11(10)15/h2-3,6,12H,4-5,7,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyIQYSVTZPNQJFKT-UHFFFAOYSA-N
MW285.29 g/mol
LogP0.61
Rot. Bonds6

About 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide

3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide (PubChem CID 119382823) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide
PubChem CID119382823
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide
SMILESCC(=O)NC(CC(=O)NCCN)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2N3O2/c1-8(19)18-12(7-13(20)17-5-4-16)10-3-2-9(14)6-11(10)15/h2-3,6,12H,4-5,7,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyIQYSVTZPNQJFKT-UHFFFAOYSA-N
XLogP0.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110000728
3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide
CID 119601624
3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884859
2-amino-N-[1-(2,4-difluorophenyl)propyl]acetamide
CID 119330686
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601784
2-[[3-acetamido-3-(2,4-difluorophenyl)propanoyl]-cyclopropylamino]propanoic acid
CID 122067212
3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide
CID 119330684
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

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide (CID 119382823) is 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide is CC(=O)NC(CC(=O)NCCN)c1ccc(F)cc1F.
What is the InChIKey of 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide?
The InChIKey is IQYSVTZPNQJFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-8(19)18-12(7-13(20)17-5-4-16)10-3-2-9(14)6-11(10)15/h2-3,6,12H,4-5,7,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide?
3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide has a molecular weight of 285.29 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 119382823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).