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

C23H20F3NO3 — CID 155214122

IUPACN-[(1R)-1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)C1COC1
InChIInChI=1S/C23H20F3NO3/c1-14(17-12-29-13-17)27-22(28)16-5-10-20-15(11-16)3-2-4-21(20)30-19-8-6-18(7-9-19)23(24,25)26/h2-11,14,17H,12-13H2,1H3,(H,27,28)/t14-/m1/s1
InChIKeyZNDCAOPVORYDIM-CQSZACIVSA-N
MW415.41 g/mol
LogP5.42
Rot. Bonds5

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

N-[(1R)-1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 155214122) has the molecular formula C23H20F3NO3 and a molecular weight of 415.41 g/mol. Its IUPAC name is N-[(1R)-1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID155214122
Molecular FormulaC23H20F3NO3
Molecular Weight415.41 g/mol
Exact Mass415.14
IUPAC NameN-[(1R)-1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)C1COC1
InChIInChI=1S/C23H20F3NO3/c1-14(17-12-29-13-17)27-22(28)16-5-10-20-15(11-16)3-2-4-21(20)30-19-8-6-18(7-9-19)23(24,25)26/h2-11,14,17H,12-13H2,1H3,(H,27,28)/t14-/m1/s1
InChIKeyZNDCAOPVORYDIM-CQSZACIVSA-N
XLogP5.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.41
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[(1R)-1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 155214122) is N-[(1R)-1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)C1COC1.
What is the InChIKey of N-[(1R)-1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is ZNDCAOPVORYDIM-CQSZACIVSA-N. The full InChI is InChI=1S/C23H20F3NO3/c1-14(17-12-29-13-17)27-22(28)16-5-10-20-15(11-16)3-2-4-21(20)30-19-8-6-18(7-9-19)23(24,25)26/h2-11,14,17H,12-13H2,1H3,(H,27,28)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-[(1R)-1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 415.41 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155214122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).