N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-propyl-7,8-dihydro-6H-naphthalene-1-carboxamide

C23H21F6NO2 — CID 18794531

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-propyl-7,8-dihydro-6H-naphthalene-1-carboxamide
SMILESCCCC1CCc2c(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc2C1=O
InChIInChI=1S/C23H21F6NO2/c1-2-4-14-7-8-17-18(20(14)31)5-3-6-19(17)21(32)30-12-13-9-15(22(24,25)26)11-16(10-13)23(27,28)29/h3,5-6,9-11,14H,2,4,7-8,12H2,1H3,(H,30,32)
InChIKeyNRHIVKGGJXLHRE-UHFFFAOYSA-N
MW457.41 g/mol
LogP6.20
Rot. Bonds5

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-propyl-7,8-dihydro-6H-naphthalene-1-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-propyl-7,8-dihydro-6H-naphthalene-1-carboxamide (PubChem CID 18794531) has the molecular formula C23H21F6NO2 and a molecular weight of 457.41 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-propyl-7,8-dihydro-6H-naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-propyl-7,8-dihydro-6H-naphthalene-1-carboxamide
PubChem CID18794531
Molecular FormulaC23H21F6NO2
Molecular Weight457.41 g/mol
Exact Mass457.15
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-propyl-7,8-dihydro-6H-naphthalene-1-carboxamide
SMILESCCCC1CCc2c(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc2C1=O
InChIInChI=1S/C23H21F6NO2/c1-2-4-14-7-8-17-18(20(14)31)5-3-6-19(17)21(32)30-12-13-9-15(22(24,25)26)11-16(10-13)23(27,28)29/h3,5-6,9-11,14H,2,4,7-8,12H2,1H3,(H,30,32)
InChIKeyNRHIVKGGJXLHRE-UHFFFAOYSA-N
XLogP6.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.41
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide
CID 54055088
1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide
CID 53159942
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 59913441
2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 3706139
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide
CID 57233630
2-propyl-3,4-dihydro-2H-naphthalen-1-one
CID 10877906
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-nitrobenzamide
CID 21361665
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide
CID 91253064
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide
CID 59888732
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 46535520

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-propyl-7,8-dihydro-6H-naphthalene-1-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-propyl-7,8-dihydro-6H-naphthalene-1-carboxamide (CID 18794531) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-propyl-7,8-dihydro-6H-naphthalene-1-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-propyl-7,8-dihydro-6H-naphthalene-1-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-propyl-7,8-dihydro-6H-naphthalene-1-carboxamide is CCCC1CCc2c(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc2C1=O.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-propyl-7,8-dihydro-6H-naphthalene-1-carboxamide?
The InChIKey is NRHIVKGGJXLHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F6NO2/c1-2-4-14-7-8-17-18(20(14)31)5-3-6-19(17)21(32)30-12-13-9-15(22(24,25)26)11-16(10-13)23(27,28)29/h3,5-6,9-11,14H,2,4,7-8,12H2,1H3,(H,30,32).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-propyl-7,8-dihydro-6H-naphthalene-1-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-propyl-7,8-dihydro-6H-naphthalene-1-carboxamide has a molecular weight of 457.41 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-propyl-7,8-dihydro-6H-naphthalene-1-carboxamide is sourced from PubChem (CID 18794531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).