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

C21H18F3NO3 — CID 155214091

IUPACN-[(2R)-1-hydroxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@H](CO)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C21H18F3NO3/c1-13(12-26)25-20(27)15-5-10-18-14(11-15)3-2-4-19(18)28-17-8-6-16(7-9-17)21(22,23)24/h2-11,13,26H,12H2,1H3,(H,25,27)/t13-/m1/s1
InChIKeyFJIVCOAHSKDOAC-CYBMUJFWSA-N
MW389.37 g/mol
LogP4.76
Rot. Bonds5

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

N-[(2R)-1-hydroxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 155214091) has the molecular formula C21H18F3NO3 and a molecular weight of 389.37 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID155214091
Molecular FormulaC21H18F3NO3
Molecular Weight389.37 g/mol
Exact Mass389.12
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@H](CO)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C21H18F3NO3/c1-13(12-26)25-20(27)15-5-10-18-14(11-15)3-2-4-19(18)28-17-8-6-16(7-9-17)21(22,23)24/h2-11,13,26H,12H2,1H3,(H,25,27)/t13-/m1/s1
InChIKeyFJIVCOAHSKDOAC-CYBMUJFWSA-N
XLogP4.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 155214091) is N-[(2R)-1-hydroxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is C[C@H](CO)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is FJIVCOAHSKDOAC-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H18F3NO3/c1-13(12-26)25-20(27)15-5-10-18-14(11-15)3-2-4-19(18)28-17-8-6-16(7-9-17)21(22,23)24/h2-11,13,26H,12H2,1H3,(H,25,27)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 389.37 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155214091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).