5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide

C26H23ClF3NO3 — CID 99866831

IUPAC5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1O[C@@H]1CCCC[C@@H]1c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C26H23ClF3NO3/c27-18-11-12-22(32)20(15-18)25(33)31-21-14-17(26(28,29)30)10-13-24(21)34-23-9-5-4-8-19(23)16-6-2-1-3-7-16/h1-3,6-7,10-15,19,23,32H,4-5,8-9H2,(H,31,33)/t19-,23-/m1/s1
InChIKeyYGWNCNZHEODSHK-AUSIDOKSSA-N
MW489.92 g/mol
LogP7.42
Rot. Bonds5

About 5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide

5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 99866831) has the molecular formula C26H23ClF3NO3 and a molecular weight of 489.92 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide
PubChem CID99866831
Molecular FormulaC26H23ClF3NO3
Molecular Weight489.92 g/mol
Exact Mass489.13
IUPAC Name5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1O[C@@H]1CCCC[C@@H]1c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C26H23ClF3NO3/c27-18-11-12-22(32)20(15-18)25(33)31-21-14-17(26(28,29)30)10-13-24(21)34-23-9-5-4-8-19(23)16-6-2-1-3-7-16/h1-3,6-7,10-15,19,23,32H,4-5,8-9H2,(H,31,33)/t19-,23-/m1/s1
InChIKeyYGWNCNZHEODSHK-AUSIDOKSSA-N
XLogP7.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.92
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-chloro-5-[(1S,2R)-2-phenylcyclohexyl]oxyphenyl]-2-hydroxybenzamide
CID 99866819
N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381236
5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 141233852
N-[2,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 23070350
5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide
CID 162599276
3-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 20604816
5-chloro-2-hydroxy-N-[3-phenyl-5-(trifluoromethyl)phenyl]benzamide
CID 166523034
5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide
CID 134009998
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 63049440
2-hydroxy-5-methyl-N-[2-(4-methylnaphthalen-1-yl)oxy-5-(trifluoromethyl)phenyl]benzamide
CID 143256872
5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
CID 167603991
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide (CID 99866831) is 5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1O[C@@H]1CCCC[C@@H]1c1ccccc1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YGWNCNZHEODSHK-AUSIDOKSSA-N. The full InChI is InChI=1S/C26H23ClF3NO3/c27-18-11-12-22(32)20(15-18)25(33)31-21-14-17(26(28,29)30)10-13-24(21)34-23-9-5-4-8-19(23)16-6-2-1-3-7-16/h1-3,6-7,10-15,19,23,32H,4-5,8-9H2,(H,31,33)/t19-,23-/m1/s1.
What are the key properties of 5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide?
5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 489.92 g/mol, XLogP of 7.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 99866831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).