5-chloro-N-[3-chloro-5-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide;5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide

C47H28Cl5F3N2O6 — CID 158629509

IUPAC5-chloro-N-[3-chloro-5-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide;5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1cc(Cl)cc(Oc2ccc(Cl)c3ccccc23)c1)c1cc(Cl)ccc1O.O=C(Nc1cc(Oc2ccc(Cl)c3ccccc23)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C24H14Cl2F3NO3.C23H14Cl3NO3/c25-14-5-7-21(31)19(11-14)23(32)30-15-9-13(24(27,28)29)10-16(12-15)33-22-8-6-20(26)17-3-1-2-4-18(17)22;24-13-5-7-21(28)19(11-13)23(29)27-15-9-14(25)10-16(12-15)30-22-8-6-20(26)17-3-1-2-4-18(17)22/h1-12,31H,(H,30,32);1-12,28H,(H,27,29)
InChIKeyHZAAZBSDLHULIM-UHFFFAOYSA-N
MW951.01 g/mol
LogP15.47
Rot. Bonds8

About 5-chloro-N-[3-chloro-5-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide;5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide

5-chloro-N-[3-chloro-5-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide;5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide (PubChem CID 158629509) has the molecular formula C47H28Cl5F3N2O6 and a molecular weight of 951.01 g/mol. Its IUPAC name is 5-chloro-N-[3-chloro-5-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide;5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-chloro-5-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide;5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide
PubChem CID158629509
Molecular FormulaC47H28Cl5F3N2O6
Molecular Weight951.01 g/mol
Exact Mass948.03
IUPAC Name5-chloro-N-[3-chloro-5-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide;5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1cc(Cl)cc(Oc2ccc(Cl)c3ccccc23)c1)c1cc(Cl)ccc1O.O=C(Nc1cc(Oc2ccc(Cl)c3ccccc23)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C24H14Cl2F3NO3.C23H14Cl3NO3/c25-14-5-7-21(31)19(11-14)23(32)30-15-9-13(24(27,28)29)10-16(12-15)33-22-8-6-20(26)17-3-1-2-4-18(17)22;24-13-5-7-21(28)19(11-13)23(29)27-15-9-14(25)10-16(12-15)30-22-8-6-20(26)17-3-1-2-4-18(17)22/h1-12,31H,(H,30,32);1-12,28H,(H,27,29)
InChIKeyHZAAZBSDLHULIM-UHFFFAOYSA-N
XLogP15.47
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.01
LogP ≤ 515.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Benzamide,5-chloro-n-[2-[(4-chloro-1-naphthalenyl)oxy]-5-(trifluoromethyl)phenyl]-2-hydroxy-
CID 11554973
N-{5-chloro-2-[(4-chloro-1-naphthyl)oxy]phenyl}-2-hydroxy-3,5-diiodobenzamide
CID 2832039
3,5-dichloro-2-hydroxy-N-[4-naphthalen-2-yloxy-3-(trifluoromethyl)phenyl]benzamide
CID 53391540
3,5-dichloro-N-{3-chloro-4-[(4-chloronaphthalen-1-yl)oxy]phenyl}-2-hydroxybenzamide
CID 1648636
5-chloro-N-(3-chloro-4-((1-chloronaphthalen-2-yl)oxy)phenyl)-2-hydroxybenzamide
CID 1632436
5-chloro-2-hydroxy-N-[2-naphthalen-1-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 17860139
5-chloro-2-hydroxy-N-[2-naphthalen-2-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 17860322
5-chloro-2-hydroxy-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide
CID 57721563
5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 57721757
N-[2-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-3-formamido-2-hydroxybenzamide
CID 57721779
Benzamide,5-chloro-2-hydroxy-n-[3-[2-[2-(trifluoromethyl)phenyl]ethoxy]phenyl]-
CID 57721788
5-chloro-2-hydroxy-N-[3-naphthalen-2-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 69017984

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-chloro-5-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide;5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[3-chloro-5-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide;5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide (CID 158629509) is 5-chloro-N-[3-chloro-5-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide;5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-chloro-5-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide;5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[3-chloro-5-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide;5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide is O=C(Nc1cc(Cl)cc(Oc2ccc(Cl)c3ccccc23)c1)c1cc(Cl)ccc1O.O=C(Nc1cc(Oc2ccc(Cl)c3ccccc23)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[3-chloro-5-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide;5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The InChIKey is HZAAZBSDLHULIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F3NO3.C23H14Cl3NO3/c25-14-5-7-21(31)19(11-14)23(32)30-15-9-13(24(27,28)29)10-16(12-15)33-22-8-6-20(26)17-3-1-2-4-18(17)22;24-13-5-7-21(28)19(11-13)23(29)27-15-9-14(25)10-16(12-15)30-22-8-6-20(26)17-3-1-2-4-18(17)22/h1-12,31H,(H,30,32);1-12,28H,(H,27,29).
What are the key properties of 5-chloro-N-[3-chloro-5-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide;5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
5-chloro-N-[3-chloro-5-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide;5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide has a molecular weight of 951.01 g/mol, XLogP of 15.47, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-chloro-5-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide;5-chloro-N-[3-(4-chloronaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 158629509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).