1-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

C18H12F3NO — CID 163481730

IUPAC1-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESNC(=O)c1ccc2ccccc2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12F3NO/c19-18(20,21)13-8-5-12(6-9-13)16-14-4-2-1-3-11(14)7-10-15(16)17(22)23/h1-10H,(H2,22,23)
InChIKeyCFDFVIBWAADSEN-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.62
Rot. Bonds2

About 1-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

1-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 163481730) has the molecular formula C18H12F3NO and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
PubChem CID163481730
Molecular FormulaC18H12F3NO
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name1-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESNC(=O)c1ccc2ccccc2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12F3NO/c19-18(20,21)13-8-5-12(6-9-13)16-14-4-2-1-3-11(14)7-10-15(16)17(22)23/h1-10H,(H2,22,23)
InChIKeyCFDFVIBWAADSEN-UHFFFAOYSA-N
XLogP4.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (CID 163481730) is 1-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is NC(=O)c1ccc2ccccc2c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is CFDFVIBWAADSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO/c19-18(20,21)13-8-5-12(6-9-13)16-14-4-2-1-3-11(14)7-10-15(16)17(22)23/h1-10H,(H2,22,23).
What are the key properties of 1-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
1-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 315.29 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 163481730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).