3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride

C14H20ClF2N3O2 — CID 119500924

IUPAC3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
SMILESCNCCNC(=O)CC(NC(C)=O)c1ccc(F)cc1F.Cl
InChIInChI=1S/C14H19F2N3O2.ClH/c1-9(20)19-13(8-14(21)18-6-5-17-2)11-4-3-10(15)7-12(11)16;/h3-4,7,13,17H,5-6,8H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyDMYDMJAHHJBGPJ-UHFFFAOYSA-N
MW335.78 g/mol
LogP1.29
Rot. Bonds7

About 3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride

3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride (PubChem CID 119500924) has the molecular formula C14H20ClF2N3O2 and a molecular weight of 335.78 g/mol. Its IUPAC name is 3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
PubChem CID119500924
Molecular FormulaC14H20ClF2N3O2
Molecular Weight335.78 g/mol
Exact Mass335.12
IUPAC Name3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
SMILESCNCCNC(=O)CC(NC(C)=O)c1ccc(F)cc1F.Cl
InChIInChI=1S/C14H19F2N3O2.ClH/c1-9(20)19-13(8-14(21)18-6-5-17-2)11-4-3-10(15)7-12(11)16;/h3-4,7,13,17H,5-6,8H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyDMYDMJAHHJBGPJ-UHFFFAOYSA-N
XLogP1.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430545
3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide
CID 119382823
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
N-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
CID 119560695
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601784
3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide
CID 119601624
2-[[3-acetamido-3-(2,4-difluorophenyl)propanoyl]-cyclopropylamino]propanoic acid
CID 122067212
N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119686258
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576940
3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884859
N-[1-(2,4-difluorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 119539315

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride (CID 119500924) is 3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride is CNCCNC(=O)CC(NC(C)=O)c1ccc(F)cc1F.Cl.
What is the InChIKey of 3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride?
The InChIKey is DMYDMJAHHJBGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2.ClH/c1-9(20)19-13(8-14(21)18-6-5-17-2)11-4-3-10(15)7-12(11)16;/h3-4,7,13,17H,5-6,8H2,1-2H3,(H,18,21)(H,19,20);1H.
What are the key properties of 3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride?
3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride has a molecular weight of 335.78 g/mol, XLogP of 1.29, 7 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-[2-(methylamino)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119500924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).