N-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide

C22H17F6NO2 — CID 121110209

IUPACN-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCCC(O)c1cccc2ccccc12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H17F6NO2/c23-21(24,25)15-10-14(11-16(12-15)22(26,27)28)20(31)29-9-8-19(30)18-7-3-5-13-4-1-2-6-17(13)18/h1-7,10-12,19,30H,8-9H2,(H,29,31)
InChIKeyYGQJQROUEXEETG-UHFFFAOYSA-N
MW441.37 g/mol
LogP5.73
Rot. Bonds5

About N-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 121110209) has the molecular formula C22H17F6NO2 and a molecular weight of 441.37 g/mol. Its IUPAC name is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID121110209
Molecular FormulaC22H17F6NO2
Molecular Weight441.37 g/mol
Exact Mass441.12
IUPAC NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCCC(O)c1cccc2ccccc12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H17F6NO2/c23-21(24,25)15-10-14(11-16(12-15)22(26,27)28)20(31)29-9-8-19(30)18-7-3-5-13-4-1-2-6-17(13)18/h1-7,10-12,19,30H,8-9H2,(H,29,31)
InChIKeyYGQJQROUEXEETG-UHFFFAOYSA-N
XLogP5.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.37
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524323
N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide
CID 90524337
N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide
CID 90524322
N-(3-hydroxy-3-naphthalen-1-ylpropyl)cyclopropanecarboxamide
CID 71787907
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide
CID 90524453
1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea
CID 90524671
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide
CID 71787908
N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide
CID 8701479
N-(3-bromopropyl)-3,5-bis(trifluoromethyl)benzamide
CID 132941155
N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide
CID 71804427
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 71787922
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 95367178

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide (CID 121110209) is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide is O=C(NCCC(O)c1cccc2ccccc12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is YGQJQROUEXEETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F6NO2/c23-21(24,25)15-10-14(11-16(12-15)22(26,27)28)20(31)29-9-8-19(30)18-7-3-5-13-4-1-2-6-17(13)18/h1-7,10-12,19,30H,8-9H2,(H,29,31).
What are the key properties of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide?
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 441.37 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 121110209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).