5-chloro-N-[2-chloro-5-[(1S,2R)-2-phenylcyclohexyl]oxyphenyl]-2-hydroxybenzamide

C25H23Cl2NO3 — CID 99866819

IUPAC5-chloro-N-[2-chloro-5-[(1S,2R)-2-phenylcyclohexyl]oxyphenyl]-2-hydroxybenzamide
SMILESO=C(Nc1cc(O[C@H]2CCCC[C@@H]2c2ccccc2)ccc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C25H23Cl2NO3/c26-17-10-13-23(29)20(14-17)25(30)28-22-15-18(11-12-21(22)27)31-24-9-5-4-8-19(24)16-6-2-1-3-7-16/h1-3,6-7,10-15,19,24,29H,4-5,8-9H2,(H,28,30)/t19-,24+/m1/s1
InChIKeyPJGPAVGDOOUJCK-DVECYGJZSA-N
MW456.37 g/mol
LogP7.06
Rot. Bonds5

About 5-chloro-N-[2-chloro-5-[(1S,2R)-2-phenylcyclohexyl]oxyphenyl]-2-hydroxybenzamide

5-chloro-N-[2-chloro-5-[(1S,2R)-2-phenylcyclohexyl]oxyphenyl]-2-hydroxybenzamide (PubChem CID 99866819) has the molecular formula C25H23Cl2NO3 and a molecular weight of 456.37 g/mol. Its IUPAC name is 5-chloro-N-[2-chloro-5-[(1S,2R)-2-phenylcyclohexyl]oxyphenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-chloro-5-[(1S,2R)-2-phenylcyclohexyl]oxyphenyl]-2-hydroxybenzamide
PubChem CID99866819
Molecular FormulaC25H23Cl2NO3
Molecular Weight456.37 g/mol
Exact Mass455.11
IUPAC Name5-chloro-N-[2-chloro-5-[(1S,2R)-2-phenylcyclohexyl]oxyphenyl]-2-hydroxybenzamide
SMILESO=C(Nc1cc(O[C@H]2CCCC[C@@H]2c2ccccc2)ccc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C25H23Cl2NO3/c26-17-10-13-23(29)20(14-17)25(30)28-22-15-18(11-12-21(22)27)31-24-9-5-4-8-19(24)16-6-2-1-3-7-16/h1-3,6-7,10-15,19,24,29H,4-5,8-9H2,(H,28,30)/t19-,24+/m1/s1
InChIKeyPJGPAVGDOOUJCK-DVECYGJZSA-N
XLogP7.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.37
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide
CID 99866831
N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide
CID 107722765
5-chloro-2-hydroxy-N-(2-methylphenyl)benzamide
CID 970572
5-chloro-2-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087187
methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate
CID 108785394
N-(2-chloro-5-methylphenyl)-2-hydroxybenzamide
CID 103769569
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide
CID 3059478
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 163300797
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
5-chloro-N-[2-(1-chloroethyl)phenyl]-2-hydroxybenzamide
CID 114304723

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-chloro-5-[(1S,2R)-2-phenylcyclohexyl]oxyphenyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[2-chloro-5-[(1S,2R)-2-phenylcyclohexyl]oxyphenyl]-2-hydroxybenzamide (CID 99866819) is 5-chloro-N-[2-chloro-5-[(1S,2R)-2-phenylcyclohexyl]oxyphenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-chloro-5-[(1S,2R)-2-phenylcyclohexyl]oxyphenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[2-chloro-5-[(1S,2R)-2-phenylcyclohexyl]oxyphenyl]-2-hydroxybenzamide is O=C(Nc1cc(O[C@H]2CCCC[C@@H]2c2ccccc2)ccc1Cl)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[2-chloro-5-[(1S,2R)-2-phenylcyclohexyl]oxyphenyl]-2-hydroxybenzamide?
The InChIKey is PJGPAVGDOOUJCK-DVECYGJZSA-N. The full InChI is InChI=1S/C25H23Cl2NO3/c26-17-10-13-23(29)20(14-17)25(30)28-22-15-18(11-12-21(22)27)31-24-9-5-4-8-19(24)16-6-2-1-3-7-16/h1-3,6-7,10-15,19,24,29H,4-5,8-9H2,(H,28,30)/t19-,24+/m1/s1.
What are the key properties of 5-chloro-N-[2-chloro-5-[(1S,2R)-2-phenylcyclohexyl]oxyphenyl]-2-hydroxybenzamide?
5-chloro-N-[2-chloro-5-[(1S,2R)-2-phenylcyclohexyl]oxyphenyl]-2-hydroxybenzamide has a molecular weight of 456.37 g/mol, XLogP of 7.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-chloro-5-[(1S,2R)-2-phenylcyclohexyl]oxyphenyl]-2-hydroxybenzamide is sourced from PubChem (CID 99866819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).