N-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

C23H20F3NO2 — CID 148790722

IUPACN-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESCC(NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1)C1COC1
InChIInChI=1S/C23H20F3NO2/c1-14(18-12-29-13-18)27-22(28)17-7-10-21-16(11-17)3-2-4-20(21)15-5-8-19(9-6-15)23(24,25)26/h2-11,14,18H,12-13H2,1H3,(H,27,28)
InChIKeyOMCLNCSFRKYXQG-UHFFFAOYSA-N
MW399.41 g/mol
LogP5.29
Rot. Bonds4

About N-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

N-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 148790722) has the molecular formula C23H20F3NO2 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
PubChem CID148790722
Molecular FormulaC23H20F3NO2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC NameN-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESCC(NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1)C1COC1
InChIInChI=1S/C23H20F3NO2/c1-14(18-12-29-13-18)27-22(28)17-7-10-21-16(11-17)3-2-4-20(21)15-5-8-19(9-6-15)23(24,25)26/h2-11,14,18H,12-13H2,1H3,(H,27,28)
InChIKeyOMCLNCSFRKYXQG-UHFFFAOYSA-N
XLogP5.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.41
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 151494065
N-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 151299396
N-[(1R)-1-(azetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]tetracene-2-carboxamide
CID 175540787
N-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214156
N-[(1R)-1-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214236
N-(4-methylsulfonylbut-3-enyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 175159989
N-[(E)-4-methylsulfonylbut-3-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 146780230
N-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 167367509
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
N-(4-aminobutan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214020
N-[(2S)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214013
N-[(2R,3S)-4-amino-3-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155223368

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (CID 148790722) is N-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is CC(NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1)C1COC1.
What is the InChIKey of N-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is OMCLNCSFRKYXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO2/c1-14(18-12-29-13-18)27-22(28)17-7-10-21-16(11-17)3-2-4-20(21)15-5-8-19(9-6-15)23(24,25)26/h2-11,14,18H,12-13H2,1H3,(H,27,28).
What are the key properties of N-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
N-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 148790722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).