3,5-dichloro-2-hydroxy-N-[4-naphthalen-2-yloxy-3-(trifluoromethyl)phenyl]benzamide

C24H14Cl2F3NO3 — CID 53391540

IUPAC3,5-dichloro-2-hydroxy-N-[4-naphthalen-2-yloxy-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc3ccccc3c2)c(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C24H14Cl2F3NO3/c25-15-10-18(22(31)20(26)11-15)23(32)30-16-6-8-21(19(12-16)24(27,28)29)33-17-7-5-13-3-1-2-4-14(13)9-17/h1-12,31H,(H,30,32)
InChIKeySWZGRMXVEWBJQT-UHFFFAOYSA-N
MW492.28 g/mol
LogP7.92
Rot. Bonds4

About 3,5-dichloro-2-hydroxy-N-[4-naphthalen-2-yloxy-3-(trifluoromethyl)phenyl]benzamide

3,5-dichloro-2-hydroxy-N-[4-naphthalen-2-yloxy-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 53391540) has the molecular formula C24H14Cl2F3NO3 and a molecular weight of 492.28 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-[4-naphthalen-2-yloxy-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-[4-naphthalen-2-yloxy-3-(trifluoromethyl)phenyl]benzamide
PubChem CID53391540
Molecular FormulaC24H14Cl2F3NO3
Molecular Weight492.28 g/mol
Exact Mass491.03
IUPAC Name3,5-dichloro-2-hydroxy-N-[4-naphthalen-2-yloxy-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc3ccccc3c2)c(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C24H14Cl2F3NO3/c25-15-10-18(22(31)20(26)11-15)23(32)30-16-6-8-21(19(12-16)24(27,28)29)33-17-7-5-13-3-1-2-4-14(13)9-17/h1-12,31H,(H,30,32)
InChIKeySWZGRMXVEWBJQT-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 3,5-dichloro-2-hydroxy-N-[4-naphthalen-2-yloxy-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-[4-naphthalen-2-yloxy-3-(trifluoromethyl)phenyl]benzamide (CID 53391540) is 3,5-dichloro-2-hydroxy-N-[4-naphthalen-2-yloxy-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-[4-naphthalen-2-yloxy-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-[4-naphthalen-2-yloxy-3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(Oc2ccc3ccccc3c2)c(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-[4-naphthalen-2-yloxy-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is SWZGRMXVEWBJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F3NO3/c25-15-10-18(22(31)20(26)11-15)23(32)30-16-6-8-21(19(12-16)24(27,28)29)33-17-7-5-13-3-1-2-4-14(13)9-17/h1-12,31H,(H,30,32).
What are the key properties of 3,5-dichloro-2-hydroxy-N-[4-naphthalen-2-yloxy-3-(trifluoromethyl)phenyl]benzamide?
3,5-dichloro-2-hydroxy-N-[4-naphthalen-2-yloxy-3-(trifluoromethyl)phenyl]benzamide 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 3,5-dichloro-2-hydroxy-N-[4-naphthalen-2-yloxy-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 53391540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).