N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide

C18H27F2N3O — CID 97213356

IUPACN-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide
SMILESCCN1CCN(C[C@H](C)CNC(=O)C(F)(F)c2ccccc2)CC1
InChIInChI=1S/C18H27F2N3O/c1-3-22-9-11-23(12-10-22)14-15(2)13-21-17(24)18(19,20)16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyMTLGDLJTQKMXLE-OAHLLOKOSA-N
MW339.43 g/mol
LogP2.17
Rot. Bonds7

About N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide

N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide (PubChem CID 97213356) has the molecular formula C18H27F2N3O and a molecular weight of 339.43 g/mol. Its IUPAC name is N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide
PubChem CID97213356
Molecular FormulaC18H27F2N3O
Molecular Weight339.43 g/mol
Exact Mass339.21
IUPAC NameN-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide
SMILESCCN1CCN(C[C@H](C)CNC(=O)C(F)(F)c2ccccc2)CC1
InChIInChI=1S/C18H27F2N3O/c1-3-22-9-11-23(12-10-22)14-15(2)13-21-17(24)18(19,20)16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyMTLGDLJTQKMXLE-OAHLLOKOSA-N
XLogP2.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 75421066
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 47090134
2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide
CID 134954879
3-[(2,2-difluoro-2-phenylacetyl)amino]-2-methylpropanoic acid
CID 119237323
2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
CID 95336956
1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea
CID 111507885
N-butan-2-yl-2,2-difluoro-2-phenylacetamide
CID 164554338
2-benzyl-1-ethyl-3-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine;hydroiodide
CID 110954639
N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 124863557
2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811647
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110961993
N-(3-aminobutyl)-2,2-difluoro-2-phenylacetamide
CID 119496872

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide?
The IUPAC name of N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide (CID 97213356) is N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide.
What is the SMILES notation for N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide?
The canonical SMILES for N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide is CCN1CCN(C[C@H](C)CNC(=O)C(F)(F)c2ccccc2)CC1.
What is the InChIKey of N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide?
The InChIKey is MTLGDLJTQKMXLE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27F2N3O/c1-3-22-9-11-23(12-10-22)14-15(2)13-21-17(24)18(19,20)16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide?
N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide has a molecular weight of 339.43 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide is sourced from PubChem (CID 97213356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).