5-chloro-N-[2-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide

C24H14Cl2F3NO3 — CID 11554973

IUPAC5-chloro-N-[2-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c2ccccc12)c1cc(Cl)ccc1O
InChIInChI=1S/C24H14Cl2F3NO3/c25-14-6-8-20(31)17(12-14)23(32)30-19-11-13(24(27,28)29)5-9-22(19)33-21-10-7-18(26)15-3-1-2-4-16(15)21/h1-12,31H,(H,30,32)
InChIKeyUUXOTXQOSCDZOM-UHFFFAOYSA-N
MW492.28 g/mol
LogP7.92
Rot. Bonds4

About 5-chloro-N-[2-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide

5-chloro-N-[2-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide (PubChem CID 11554973) has the molecular formula C24H14Cl2F3NO3 and a molecular weight of 492.28 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide
PubChem CID11554973
Molecular FormulaC24H14Cl2F3NO3
Molecular Weight492.28 g/mol
Exact Mass491.03
IUPAC Name5-chloro-N-[2-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c2ccccc12)c1cc(Cl)ccc1O
InChIInChI=1S/C24H14Cl2F3NO3/c25-14-6-8-20(31)17(12-14)23(32)30-19-11-13(24(27,28)29)5-9-22(19)33-21-10-7-18(26)15-3-1-2-4-16(15)21/h1-12,31H,(H,30,32)
InChIKeyUUXOTXQOSCDZOM-UHFFFAOYSA-N
XLogP7.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.28
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[2-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide (CID 11554973) is 5-chloro-N-[2-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide is O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c2ccccc12)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[2-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The InChIKey is UUXOTXQOSCDZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F3NO3/c25-14-6-8-20(31)17(12-14)23(32)30-19-11-13(24(27,28)29)5-9-22(19)33-21-10-7-18(26)15-3-1-2-4-16(15)21/h1-12,31H,(H,30,32).
What are the key properties of 5-chloro-N-[2-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
5-chloro-N-[2-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide has a molecular weight of 492.28 g/mol, XLogP of 7.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 11554973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).