1-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide

C19H13F3N2O2 — CID 68648981

IUPAC1-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
SMILESNC(=O)c1ccc2ccc(C(N)=O)c(-c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)13-3-1-2-11(8-13)16-14(18(24)26)7-6-10-4-5-12(17(23)25)9-15(10)16/h1-9H,(H2,23,25)(H2,24,26)
InChIKeyLEDOPHAHNZPYDY-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.72
Rot. Bonds3

About 1-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide

1-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide (PubChem CID 68648981) has the molecular formula C19H13F3N2O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
PubChem CID68648981
Molecular FormulaC19H13F3N2O2
Molecular Weight358.32 g/mol
Exact Mass358.09
IUPAC Name1-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
SMILESNC(=O)c1ccc2ccc(C(N)=O)c(-c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)13-3-1-2-11(8-13)16-14(18(24)26)7-6-10-4-5-12(17(23)25)9-15(10)16/h1-9H,(H2,23,25)(H2,24,26)
InChIKeyLEDOPHAHNZPYDY-UHFFFAOYSA-N
XLogP3.72
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide (CID 68648981) is 1-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide is NC(=O)c1ccc2ccc(C(N)=O)c(-c3cccc(C(F)(F)F)c3)c2c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide?
The InChIKey is LEDOPHAHNZPYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2/c20-19(21,22)13-3-1-2-11(8-13)16-14(18(24)26)7-6-10-4-5-12(17(23)25)9-15(10)16/h1-9H,(H2,23,25)(H2,24,26).
What are the key properties of 1-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide?
1-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide has a molecular weight of 358.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide is sourced from PubChem (CID 68648981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).