N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(trifluoromethyl)benzamide

C19H18F3NO2 — CID 71803575

IUPACN-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1(O)CCc2ccccc2C1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F3NO2/c20-19(21,22)16-8-4-3-7-15(16)17(24)23-12-18(25)10-9-13-5-1-2-6-14(13)11-18/h1-8,25H,9-12H2,(H,23,24)
InChIKeyJSGZADXRVBVJKT-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.36
Rot. Bonds3

About N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(trifluoromethyl)benzamide

N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 71803575) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID71803575
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC NameN-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1(O)CCc2ccccc2C1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F3NO2/c20-19(21,22)16-8-4-3-7-15(16)17(24)23-12-18(25)10-9-13-5-1-2-6-14(13)11-18/h1-8,25H,9-12H2,(H,23,24)
InChIKeyJSGZADXRVBVJKT-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(trifluoromethyl)benzamide (CID 71803575) is N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(trifluoromethyl)benzamide is O=C(NCC1(O)CCc2ccccc2C1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is JSGZADXRVBVJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2/c20-19(21,22)16-8-4-3-7-15(16)17(24)23-12-18(25)10-9-13-5-1-2-6-14(13)11-18/h1-8,25H,9-12H2,(H,23,24).
What are the key properties of N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(trifluoromethyl)benzamide?
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 349.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 71803575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).