5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide

C23H19Cl2F2NO3 — CID 162599276

IUPAC5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide
SMILESCC(F)(F)c1ccc(OCCc2cccc(Cl)c2)c(NC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C23H19Cl2F2NO3/c1-23(26,27)15-5-8-21(31-10-9-14-3-2-4-16(24)11-14)19(12-15)28-22(30)18-13-17(25)6-7-20(18)29/h2-8,11-13,29H,9-10H2,1H3,(H,28,30)
InChIKeyINCOCAPMEUTZSX-UHFFFAOYSA-N
MW466.31 g/mol
LogP6.68
Rot. Bonds7

About 5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide

5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide (PubChem CID 162599276) has the molecular formula C23H19Cl2F2NO3 and a molecular weight of 466.31 g/mol. Its IUPAC name is 5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide
PubChem CID162599276
Molecular FormulaC23H19Cl2F2NO3
Molecular Weight466.31 g/mol
Exact Mass465.07
IUPAC Name5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide
SMILESCC(F)(F)c1ccc(OCCc2cccc(Cl)c2)c(NC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C23H19Cl2F2NO3/c1-23(26,27)15-5-8-21(31-10-9-14-3-2-4-16(24)11-14)19(12-15)28-22(30)18-13-17(25)6-7-20(18)29/h2-8,11-13,29H,9-10H2,1H3,(H,28,30)
InChIKeyINCOCAPMEUTZSX-UHFFFAOYSA-N
XLogP6.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.31
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381231
N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381236
7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid
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CID 970572
5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 141233852
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516
N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 115496886
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide
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5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-hydroxybenzamide
CID 155523213
5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
CID 167603991
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide (CID 162599276) is 5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide is CC(F)(F)c1ccc(OCCc2cccc(Cl)c2)c(NC(=O)c2cc(Cl)ccc2O)c1.
What is the InChIKey of 5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide?
The InChIKey is INCOCAPMEUTZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F2NO3/c1-23(26,27)15-5-8-21(31-10-9-14-3-2-4-16(24)11-14)19(12-15)28-22(30)18-13-17(25)6-7-20(18)29/h2-8,11-13,29H,9-10H2,1H3,(H,28,30).
What are the key properties of 5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide?
5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide has a molecular weight of 466.31 g/mol, XLogP of 6.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 162599276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).