2-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]naphthalene-2,6-dicarboxamide

C21H17F3N2O3 — CID 90776585

IUPAC2-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]naphthalene-2,6-dicarboxamide
SMILESNC(=O)c1ccc2cc(C(=O)NCC(O)c3cccc(C(F)(F)F)c3)ccc2c1
InChIInChI=1S/C21H17F3N2O3/c22-21(23,24)17-3-1-2-14(10-17)18(27)11-26-20(29)16-7-5-12-8-15(19(25)28)6-4-13(12)9-16/h1-10,18,27H,11H2,(H2,25,28)(H,26,29)
InChIKeyUICHBFMQYAYFHL-UHFFFAOYSA-N
MW402.37 g/mol
LogP3.42
Rot. Bonds5

About 2-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]naphthalene-2,6-dicarboxamide

2-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]naphthalene-2,6-dicarboxamide (PubChem CID 90776585) has the molecular formula C21H17F3N2O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is 2-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]naphthalene-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]naphthalene-2,6-dicarboxamide
PubChem CID90776585
Molecular FormulaC21H17F3N2O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC Name2-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]naphthalene-2,6-dicarboxamide
SMILESNC(=O)c1ccc2cc(C(=O)NCC(O)c3cccc(C(F)(F)F)c3)ccc2c1
InChIInChI=1S/C21H17F3N2O3/c22-21(23,24)17-3-1-2-14(10-17)18(27)11-26-20(29)16-7-5-12-8-15(19(25)28)6-4-13(12)9-16/h1-10,18,27H,11H2,(H2,25,28)(H,26,29)
InChIKeyUICHBFMQYAYFHL-UHFFFAOYSA-N
XLogP3.42
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]naphthalene-2,6-dicarboxamide?
The IUPAC name of 2-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]naphthalene-2,6-dicarboxamide (CID 90776585) is 2-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]naphthalene-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]naphthalene-2,6-dicarboxamide?
The canonical SMILES for 2-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]naphthalene-2,6-dicarboxamide is NC(=O)c1ccc2cc(C(=O)NCC(O)c3cccc(C(F)(F)F)c3)ccc2c1.
What is the InChIKey of 2-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]naphthalene-2,6-dicarboxamide?
The InChIKey is UICHBFMQYAYFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3/c22-21(23,24)17-3-1-2-14(10-17)18(27)11-26-20(29)16-7-5-12-8-15(19(25)28)6-4-13(12)9-16/h1-10,18,27H,11H2,(H2,25,28)(H,26,29).
What are the key properties of 2-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]naphthalene-2,6-dicarboxamide?
2-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]naphthalene-2,6-dicarboxamide has a molecular weight of 402.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]naphthalene-2,6-dicarboxamide is sourced from PubChem (CID 90776585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).