N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide

C18H18F3NO2 — CID 97051794

IUPACN-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
SMILESO=C(c1ccc2ccccc2c1)N(CC(F)(F)F)[C@@H]1CCCOC1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)12-22(16-6-3-9-24-11-16)17(23)15-8-7-13-4-1-2-5-14(13)10-15/h1-2,4-5,7-8,10,16H,3,6,9,11-12H2/t16-/m1/s1
InChIKeyJUJCERULXVTZDW-MRXNPFEDSA-N
MW337.34 g/mol
LogP4.02
Rot. Bonds3

About N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide

N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide (PubChem CID 97051794) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
PubChem CID97051794
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
SMILESO=C(c1ccc2ccccc2c1)N(CC(F)(F)F)[C@@H]1CCCOC1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)12-22(16-6-3-9-24-11-16)17(23)15-8-7-13-4-1-2-5-14(13)10-15/h1-2,4-5,7-8,10,16H,3,6,9,11-12H2/t16-/m1/s1
InChIKeyJUJCERULXVTZDW-MRXNPFEDSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide?
The IUPAC name of N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide (CID 97051794) is N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide?
The canonical SMILES for N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide is O=C(c1ccc2ccccc2c1)N(CC(F)(F)F)[C@@H]1CCCOC1.
What is the InChIKey of N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide?
The InChIKey is JUJCERULXVTZDW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18F3NO2/c19-18(20,21)12-22(16-6-3-9-24-11-16)17(23)15-8-7-13-4-1-2-5-14(13)10-15/h1-2,4-5,7-8,10,16H,3,6,9,11-12H2/t16-/m1/s1.
What are the key properties of N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide?
N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 97051794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).