4-(4-fluorophenyl)-N-[6-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]naphthalen-2-yl]benzamide

C33H35FN2O — CID 22340488

IUPAC4-(4-fluorophenyl)-N-[6-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]naphthalen-2-yl]benzamide
SMILESCC1(C)CCCC(C)(C)N1Cc1ccc2cc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)ccc2c1
InChIInChI=1S/C33H35FN2O/c1-32(2)18-5-19-33(3,4)36(32)22-23-6-7-28-21-30(17-14-27(28)20-23)35-31(37)26-10-8-24(9-11-26)25-12-15-29(34)16-13-25/h6-17,20-21H,5,18-19,22H2,1-4H3,(H,35,37)
InChIKeyVZNHDLZJSYYDLC-UHFFFAOYSA-N
MW494.65 g/mol
LogP8.44
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[6-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]naphthalen-2-yl]benzamide

4-(4-fluorophenyl)-N-[6-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]naphthalen-2-yl]benzamide (PubChem CID 22340488) has the molecular formula C33H35FN2O and a molecular weight of 494.65 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[6-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]naphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[6-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]naphthalen-2-yl]benzamide
PubChem CID22340488
Molecular FormulaC33H35FN2O
Molecular Weight494.65 g/mol
Exact Mass494.27
IUPAC Name4-(4-fluorophenyl)-N-[6-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]naphthalen-2-yl]benzamide
SMILESCC1(C)CCCC(C)(C)N1Cc1ccc2cc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)ccc2c1
InChIInChI=1S/C33H35FN2O/c1-32(2)18-5-19-33(3,4)36(32)22-23-6-7-28-21-30(17-14-27(28)20-23)35-31(37)26-10-8-24(9-11-26)25-12-15-29(34)16-13-25/h6-17,20-21H,5,18-19,22H2,1-4H3,(H,35,37)
InChIKeyVZNHDLZJSYYDLC-UHFFFAOYSA-N
XLogP8.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.65
LogP ≤ 58.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide
CID 22340506
4-fluoro-N-[3-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524357
N-(4-tert-butylphenyl)-4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]benzamide
CID 44530075
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
4-ethyl-N-naphthalen-2-ylbenzamide
CID 5108081
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide
CID 71917764
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436095
N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide
CID 46040810
4-[3-[(4-fluorobenzoyl)amino]phenyl]-N-hydroxybenzamide
CID 10308934
4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[6-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]naphthalen-2-yl]benzamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[6-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]naphthalen-2-yl]benzamide (CID 22340488) is 4-(4-fluorophenyl)-N-[6-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]naphthalen-2-yl]benzamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[6-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]naphthalen-2-yl]benzamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[6-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]naphthalen-2-yl]benzamide is CC1(C)CCCC(C)(C)N1Cc1ccc2cc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)ccc2c1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[6-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]naphthalen-2-yl]benzamide?
The InChIKey is VZNHDLZJSYYDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN2O/c1-32(2)18-5-19-33(3,4)36(32)22-23-6-7-28-21-30(17-14-27(28)20-23)35-31(37)26-10-8-24(9-11-26)25-12-15-29(34)16-13-25/h6-17,20-21H,5,18-19,22H2,1-4H3,(H,35,37).
What are the key properties of 4-(4-fluorophenyl)-N-[6-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]naphthalen-2-yl]benzamide?
4-(4-fluorophenyl)-N-[6-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]naphthalen-2-yl]benzamide has a molecular weight of 494.65 g/mol, XLogP of 8.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[6-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]naphthalen-2-yl]benzamide is sourced from PubChem (CID 22340488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).