2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide

C17H25F2N3O — CID 75421066

IUPAC2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
SMILESCC(CNC(=O)C(F)(F)c1ccccc1)CN1CCN(C)CC1
InChIInChI=1S/C17H25F2N3O/c1-14(13-22-10-8-21(2)9-11-22)12-20-16(23)17(18,19)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,20,23)
InChIKeyPUHYNMYUGUDLBK-UHFFFAOYSA-N
MW325.40 g/mol
LogP1.78
Rot. Bonds6

About 2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide

2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide (PubChem CID 75421066) has the molecular formula C17H25F2N3O and a molecular weight of 325.40 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
PubChem CID75421066
Molecular FormulaC17H25F2N3O
Molecular Weight325.40 g/mol
Exact Mass325.20
IUPAC Name2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
SMILESCC(CNC(=O)C(F)(F)c1ccccc1)CN1CCN(C)CC1
InChIInChI=1S/C17H25F2N3O/c1-14(13-22-10-8-21(2)9-11-22)12-20-16(23)17(18,19)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,20,23)
InChIKeyPUHYNMYUGUDLBK-UHFFFAOYSA-N
XLogP1.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide
CID 97213356
1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea
CID 111507885
2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide
CID 134954879
3-[(2,2-difluoro-2-phenylacetyl)amino]-2-methylpropanoic acid
CID 119237323
2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 96570196
3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide
CID 119902468
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide
CID 86823532
3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide
CID 86869523
1-ethyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(2-methyl-2-phenylpropyl)guanidine
CID 111948667
3,4-difluoro-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 95976798
1-(2,2-diphenylethyl)-2-methyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111356839
N'-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]oxamide
CID 95341968

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide?
The IUPAC name of 2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide (CID 75421066) is 2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide.
What is the SMILES notation for 2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide?
The canonical SMILES for 2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide is CC(CNC(=O)C(F)(F)c1ccccc1)CN1CCN(C)CC1.
What is the InChIKey of 2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide?
The InChIKey is PUHYNMYUGUDLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O/c1-14(13-22-10-8-21(2)9-11-22)12-20-16(23)17(18,19)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,20,23).
What are the key properties of 2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide?
2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide has a molecular weight of 325.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide is sourced from PubChem (CID 75421066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).