6-(6-chloropyrimidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-carboxamide

C23H15ClF3N3O2 — CID 91235202

IUPAC6-(6-chloropyrimidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1cccc2cc(Oc3cc(Cl)ncn3)ccc12
InChIInChI=1S/C23H15ClF3N3O2/c24-20-11-21(30-13-29-20)32-16-8-9-17-14(10-16)5-3-6-18(17)22(31)28-12-15-4-1-2-7-19(15)23(25,26)27/h1-11,13H,12H2,(H,28,31)
InChIKeyVGJPZYOCWONZQW-UHFFFAOYSA-N
MW457.84 g/mol
LogP6.02
Rot. Bonds5

About 6-(6-chloropyrimidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-carboxamide

6-(6-chloropyrimidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-carboxamide (PubChem CID 91235202) has the molecular formula C23H15ClF3N3O2 and a molecular weight of 457.84 g/mol. Its IUPAC name is 6-(6-chloropyrimidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(6-chloropyrimidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-carboxamide
PubChem CID91235202
Molecular FormulaC23H15ClF3N3O2
Molecular Weight457.84 g/mol
Exact Mass457.08
IUPAC Name6-(6-chloropyrimidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1cccc2cc(Oc3cc(Cl)ncn3)ccc12
InChIInChI=1S/C23H15ClF3N3O2/c24-20-11-21(30-13-29-20)32-16-8-9-17-14(10-16)5-3-6-18(17)22(31)28-12-15-4-1-2-7-19(15)23(25,26)27/h1-11,13H,12H2,(H,28,31)
InChIKeyVGJPZYOCWONZQW-UHFFFAOYSA-N
XLogP6.02
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.84
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloropyrimidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-carboxamide?
The IUPAC name of 6-(6-chloropyrimidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-carboxamide (CID 91235202) is 6-(6-chloropyrimidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-(6-chloropyrimidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-(6-chloropyrimidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1cccc2cc(Oc3cc(Cl)ncn3)ccc12.
What is the InChIKey of 6-(6-chloropyrimidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-carboxamide?
The InChIKey is VGJPZYOCWONZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3O2/c24-20-11-21(30-13-29-20)32-16-8-9-17-14(10-16)5-3-6-18(17)22(31)28-12-15-4-1-2-7-19(15)23(25,26)27/h1-11,13H,12H2,(H,28,31).
What are the key properties of 6-(6-chloropyrimidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-carboxamide?
6-(6-chloropyrimidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-carboxamide has a molecular weight of 457.84 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloropyrimidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 91235202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).