3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide

C15H21F2N3O2 — CID 119430545

IUPAC3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide
SMILESCNCCCNC(=O)CC(NC(C)=O)c1ccc(F)cc1F
InChIInChI=1S/C15H21F2N3O2/c1-10(21)20-14(9-15(22)19-7-3-6-18-2)12-5-4-11(16)8-13(12)17/h4-5,8,14,18H,3,6-7,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyPCNHGBDDKQXCQU-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.26
Rot. Bonds8

About 3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide

3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide (PubChem CID 119430545) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide
PubChem CID119430545
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide
SMILESCNCCCNC(=O)CC(NC(C)=O)c1ccc(F)cc1F
InChIInChI=1S/C15H21F2N3O2/c1-10(21)20-14(9-15(22)19-7-3-6-18-2)12-5-4-11(16)8-13(12)17/h4-5,8,14,18H,3,6-7,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyPCNHGBDDKQXCQU-UHFFFAOYSA-N
XLogP1.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.26
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-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119500924
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
3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119432712
3-acetamido-N-[3-(methylamino)propyl]-3-(4-methylphenyl)propanamide
CID 119433343
4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119433396
N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119686258
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
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

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide?
The IUPAC name of 3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide (CID 119430545) is 3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide?
The canonical SMILES for 3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide is CNCCCNC(=O)CC(NC(C)=O)c1ccc(F)cc1F.
What is the InChIKey of 3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide?
The InChIKey is PCNHGBDDKQXCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-10(21)20-14(9-15(22)19-7-3-6-18-2)12-5-4-11(16)8-13(12)17/h4-5,8,14,18H,3,6-7,9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide?
3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide has a molecular weight of 313.35 g/mol, XLogP of 1.26, 8 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-[3-(methylamino)propyl]propanamide is sourced from PubChem (CID 119430545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).