4-(4-fluorophenyl)-N-[6-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

C30H30F4N2O2 — CID 140520091

IUPAC4-(4-fluorophenyl)-N-[6-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESO=C(NC1CCc2cc(CN3CCC(O)(C(F)(F)F)CC3)ccc2C1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C30H30F4N2O2/c31-26-10-7-22(8-11-26)21-3-5-23(6-4-21)28(37)35-27-12-9-24-17-20(1-2-25(24)18-27)19-36-15-13-29(38,14-16-36)30(32,33)34/h1-8,10-11,17,27,38H,9,12-16,18-19H2,(H,35,37)
InChIKeyOBSMMPMIILRUCF-UHFFFAOYSA-N
MW526.57 g/mol
LogP5.67
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[6-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

4-(4-fluorophenyl)-N-[6-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 140520091) has the molecular formula C30H30F4N2O2 and a molecular weight of 526.57 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[6-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[6-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
PubChem CID140520091
Molecular FormulaC30H30F4N2O2
Molecular Weight526.57 g/mol
Exact Mass526.22
IUPAC Name4-(4-fluorophenyl)-N-[6-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESO=C(NC1CCc2cc(CN3CCC(O)(C(F)(F)F)CC3)ccc2C1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C30H30F4N2O2/c31-26-10-7-22(8-11-26)21-3-5-23(6-4-21)28(37)35-27-12-9-24-17-20(1-2-25(24)18-27)19-36-15-13-29(38,14-16-36)30(32,33)34/h1-8,10-11,17,27,38H,9,12-16,18-19H2,(H,35,37)
InChIKeyOBSMMPMIILRUCF-UHFFFAOYSA-N
XLogP5.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.57
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)benzamide
CID 11476595
4-(4-fluorophenyl)-N-[6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 11751130
N-[(2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(1,3-dioxolan-2-ylmethoxy)benzamide
CID 59505786
4-(4-fluorophenyl)-N-methyl-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 58054855
4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 25190242
4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 25164161
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55959532
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
N-[(2S)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505798
N-[(2S)-6-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505862
N-[(2S)-6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 25190355
4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide
CID 136542748

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[6-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[6-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (CID 140520091) is 4-(4-fluorophenyl)-N-[6-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[6-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[6-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is O=C(NC1CCc2cc(CN3CCC(O)(C(F)(F)F)CC3)ccc2C1)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[6-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The InChIKey is OBSMMPMIILRUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F4N2O2/c31-26-10-7-22(8-11-26)21-3-5-23(6-4-21)28(37)35-27-12-9-24-17-20(1-2-25(24)18-27)19-36-15-13-29(38,14-16-36)30(32,33)34/h1-8,10-11,17,27,38H,9,12-16,18-19H2,(H,35,37).
What are the key properties of 4-(4-fluorophenyl)-N-[6-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
4-(4-fluorophenyl)-N-[6-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 526.57 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[6-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 140520091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).