N-[2-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxypentyl]-2-hydroxybenzamide

C25H22ClF4NO3 — CID 66733283

IUPACN-[2-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxypentyl]-2-hydroxybenzamide
SMILESO=C(NCC(O)(CCCc1cc(C(F)(F)F)ccc1F)c1cccc(Cl)c1)c1ccccc1O
InChIInChI=1S/C25H22ClF4NO3/c26-19-7-3-6-17(14-19)24(34,15-31-23(33)20-8-1-2-9-22(20)32)12-4-5-16-13-18(25(28,29)30)10-11-21(16)27/h1-3,6-11,13-14,32,34H,4-5,12,15H2,(H,31,33)
InChIKeyXNBULYPXUNIWLC-UHFFFAOYSA-N
MW495.90 g/mol
LogP5.84
Rot. Bonds8

About N-[2-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxypentyl]-2-hydroxybenzamide

N-[2-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxypentyl]-2-hydroxybenzamide (PubChem CID 66733283) has the molecular formula C25H22ClF4NO3 and a molecular weight of 495.90 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxypentyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxypentyl]-2-hydroxybenzamide
PubChem CID66733283
Molecular FormulaC25H22ClF4NO3
Molecular Weight495.90 g/mol
Exact Mass495.12
IUPAC NameN-[2-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxypentyl]-2-hydroxybenzamide
SMILESO=C(NCC(O)(CCCc1cc(C(F)(F)F)ccc1F)c1cccc(Cl)c1)c1ccccc1O
InChIInChI=1S/C25H22ClF4NO3/c26-19-7-3-6-17(14-19)24(34,15-31-23(33)20-8-1-2-9-22(20)32)12-4-5-16-13-18(25(28,29)30)10-11-21(16)27/h1-3,6-11,13-14,32,34H,4-5,12,15H2,(H,31,33)
InChIKeyXNBULYPXUNIWLC-UHFFFAOYSA-N
XLogP5.84
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.90
LogP ≤ 55.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70662037
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide
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2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 55659179
2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide
CID 103528324
1-(5-chloro-2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 4530933
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
N-(3-amino-2,2-difluoropropyl)-2-hydroxybenzamide
CID 114383534
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90497940

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxypentyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxypentyl]-2-hydroxybenzamide (CID 66733283) is N-[2-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxypentyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxypentyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxypentyl]-2-hydroxybenzamide is O=C(NCC(O)(CCCc1cc(C(F)(F)F)ccc1F)c1cccc(Cl)c1)c1ccccc1O.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxypentyl]-2-hydroxybenzamide?
The InChIKey is XNBULYPXUNIWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF4NO3/c26-19-7-3-6-17(14-19)24(34,15-31-23(33)20-8-1-2-9-22(20)32)12-4-5-16-13-18(25(28,29)30)10-11-21(16)27/h1-3,6-11,13-14,32,34H,4-5,12,15H2,(H,31,33).
What are the key properties of N-[2-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxypentyl]-2-hydroxybenzamide?
N-[2-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxypentyl]-2-hydroxybenzamide has a molecular weight of 495.90 g/mol, XLogP of 5.84, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxypentyl]-2-hydroxybenzamide is sourced from PubChem (CID 66733283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).