N-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide

C25H30F3N3O2 — CID 25061082

IUPACN-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCc1ccc(CN2CCN(C)CC2)c2c1CC[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C25H30F3N3O2/c1-17-3-4-19(16-31-13-11-30(2)12-14-31)23-15-20(7-10-22(17)23)29-24(32)18-5-8-21(9-6-18)33-25(26,27)28/h3-6,8-9,20H,7,10-16H2,1-2H3,(H,29,32)/t20-/m1/s1
InChIKeyWDAAFUAUFSRDSX-HXUWFJFHSA-N
MW461.53 g/mol
LogP3.93
Rot. Bonds5

About N-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide

N-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 25061082) has the molecular formula C25H30F3N3O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is N-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide
PubChem CID25061082
Molecular FormulaC25H30F3N3O2
Molecular Weight461.53 g/mol
Exact Mass461.23
IUPAC NameN-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCc1ccc(CN2CCN(C)CC2)c2c1CC[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C25H30F3N3O2/c1-17-3-4-19(16-31-13-11-30(2)12-14-31)23-15-20(7-10-22(17)23)29-24(32)18-5-8-21(9-6-18)33-25(26,27)28/h3-6,8-9,20H,7,10-16H2,1-2H3,(H,29,32)/t20-/m1/s1
InChIKeyWDAAFUAUFSRDSX-HXUWFJFHSA-N
XLogP3.93
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
N-[(2R)-8-[2-(ethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide
CID 25062396
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 121126883
[4-[[(2S)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoyl]phenyl] trifluoromethanesulfonate
CID 25055227
N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide
CID 116629081
N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 126431501
N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 71789114
1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine
CID 133134797
N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 55741672
2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
CID 163352811
3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 23145848
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44556116

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide (CID 25061082) is N-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide is Cc1ccc(CN2CCN(C)CC2)c2c1CC[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)C2.
What is the InChIKey of N-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is WDAAFUAUFSRDSX-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30F3N3O2/c1-17-3-4-19(16-31-13-11-30(2)12-14-31)23-15-20(7-10-22(17)23)29-24(32)18-5-8-21(9-6-18)33-25(26,27)28/h3-6,8-9,20H,7,10-16H2,1-2H3,(H,29,32)/t20-/m1/s1.
What are the key properties of N-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide?
N-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 461.53 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 25061082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).