2-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2,6-dicarboxamide

C25H17F3N2O2 — CID 57394359

IUPAC2-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2,6-dicarboxamide
SMILESNC(=O)c1ccc2cc(C(=O)Nc3ccc(-c4cccc(C(F)(F)F)c4)cc3)ccc2c1
InChIInChI=1S/C25H17F3N2O2/c26-25(27,28)21-3-1-2-16(14-21)15-8-10-22(11-9-15)30-24(32)20-7-5-17-12-19(23(29)31)6-4-18(17)13-20/h1-14H,(H2,29,31)(H,30,32)
InChIKeyAYZAMPRKDUFKDU-UHFFFAOYSA-N
MW434.42 g/mol
LogP5.88
Rot. Bonds4

About 2-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2,6-dicarboxamide

2-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2,6-dicarboxamide (PubChem CID 57394359) has the molecular formula C25H17F3N2O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is 2-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2,6-dicarboxamide
PubChem CID57394359
Molecular FormulaC25H17F3N2O2
Molecular Weight434.42 g/mol
Exact Mass434.12
IUPAC Name2-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2,6-dicarboxamide
SMILESNC(=O)c1ccc2cc(C(=O)Nc3ccc(-c4cccc(C(F)(F)F)c4)cc3)ccc2c1
InChIInChI=1S/C25H17F3N2O2/c26-25(27,28)21-3-1-2-16(14-21)15-8-10-22(11-9-15)30-24(32)20-7-5-17-12-19(23(29)31)6-4-18(17)13-20/h1-14H,(H2,29,31)(H,30,32)
InChIKeyAYZAMPRKDUFKDU-UHFFFAOYSA-N
XLogP5.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.42
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2,6-dicarboxamide?
The IUPAC name of 2-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2,6-dicarboxamide (CID 57394359) is 2-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2,6-dicarboxamide?
The canonical SMILES for 2-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2,6-dicarboxamide is NC(=O)c1ccc2cc(C(=O)Nc3ccc(-c4cccc(C(F)(F)F)c4)cc3)ccc2c1.
What is the InChIKey of 2-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2,6-dicarboxamide?
The InChIKey is AYZAMPRKDUFKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N2O2/c26-25(27,28)21-3-1-2-16(14-21)15-8-10-22(11-9-15)30-24(32)20-7-5-17-12-19(23(29)31)6-4-18(17)13-20/h1-14H,(H2,29,31)(H,30,32).
What are the key properties of 2-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2,6-dicarboxamide?
2-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2,6-dicarboxamide has a molecular weight of 434.42 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2,6-dicarboxamide is sourced from PubChem (CID 57394359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).