ethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide

C25H34F3N3O — CID 144745028

IUPACethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide
SMILESCC.CCN1CCN(Cc2ccc(NC(=O)Cc3cccc(C)c3)cc2C(F)(F)F)CC1
InChIInChI=1S/C23H28F3N3O.C2H6/c1-3-28-9-11-29(12-10-28)16-19-7-8-20(15-21(19)23(24,25)26)27-22(30)14-18-6-4-5-17(2)13-18;1-2/h4-8,13,15H,3,9-12,14,16H2,1-2H3,(H,27,30);1-2H3
InChIKeyNCMGSRZZNIQBHE-UHFFFAOYSA-N
MW449.56 g/mol
LogP5.36
Rot. Bonds6

About ethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide

ethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide (PubChem CID 144745028) has the molecular formula C25H34F3N3O and a molecular weight of 449.56 g/mol. Its IUPAC name is ethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound Nameethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide
PubChem CID144745028
Molecular FormulaC25H34F3N3O
Molecular Weight449.56 g/mol
Exact Mass449.27
IUPAC Nameethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide
SMILESCC.CCN1CCN(Cc2ccc(NC(=O)Cc3cccc(C)c3)cc2C(F)(F)F)CC1
InChIInChI=1S/C23H28F3N3O.C2H6/c1-3-28-9-11-29(12-10-28)16-19-7-8-20(15-21(19)23(24,25)26)27-22(30)14-18-6-4-5-17(2)13-18;1-2/h4-8,13,15H,3,9-12,14,16H2,1-2H3,(H,27,30);1-2H3
InChIKeyNCMGSRZZNIQBHE-UHFFFAOYSA-N
XLogP5.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
CID 144622823
N-[3-[(4-ethylpiperazin-1-yl)methyl]-4-(trifluoromethyl)phenyl]-2-(3-iodophenyl)acetamide
CID 118451883
2-[4-[[4-[[2-(3-iodophenyl)acetyl]amino]-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate
CID 90133857
2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetic acid
CID 159866022
N-(3-bromophenyl)-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 144889014
ethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide
CID 144640707
4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-hydroxybenzamide
CID 135385738
2-(3-bromo-4-fluorophenyl)-N-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
CID 118452108
2,4-dimethyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 146013682
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-nitrobenzamide
CID 59346396
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyridazine-4-carboxamide
CID 16746041
2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108933173

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of ethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide (CID 144745028) is ethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for ethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for ethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide is CC.CCN1CCN(Cc2ccc(NC(=O)Cc3cccc(C)c3)cc2C(F)(F)F)CC1.
What is the InChIKey of ethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide?
The InChIKey is NCMGSRZZNIQBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O.C2H6/c1-3-28-9-11-29(12-10-28)16-19-7-8-20(15-21(19)23(24,25)26)27-22(30)14-18-6-4-5-17(2)13-18;1-2/h4-8,13,15H,3,9-12,14,16H2,1-2H3,(H,27,30);1-2H3.
What are the key properties of ethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide?
ethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide has a molecular weight of 449.56 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 144745028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).