N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide

C13H7ClF3NO3 — CID 64788897

IUPACN-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESO=C(Nc1ccc(O)cc1Cl)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C13H7ClF3NO3/c14-7-3-5(19)1-2-9(7)18-13(21)6-4-8(15)11(17)12(20)10(6)16/h1-4,19-20H,(H,18,21)
InChIKeyLMODEDYYAKZPBH-UHFFFAOYSA-N
MW317.65 g/mol
LogP3.42
Rot. Bonds2

About N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide

N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 64788897) has the molecular formula C13H7ClF3NO3 and a molecular weight of 317.65 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID64788897
Molecular FormulaC13H7ClF3NO3
Molecular Weight317.65 g/mol
Exact Mass317.01
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESO=C(Nc1ccc(O)cc1Cl)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C13H7ClF3NO3/c14-7-3-5(19)1-2-9(7)18-13(21)6-4-8(15)11(17)12(20)10(6)16/h1-4,19-20H,(H,18,21)
InChIKeyLMODEDYYAKZPBH-UHFFFAOYSA-N
XLogP3.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.65
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 107697532
N-(2-chloro-4-hydroxyphenyl)-2,4-difluorobenzamide
CID 64786772
N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 104580540
N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 103479739
2-amino-N-(2-chloro-4-fluorophenyl)-5-hydroxybenzamide
CID 107073989
2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 107989011
2-amino-N-(2,4-dichlorophenyl)-5-hydroxybenzamide
CID 107073840
3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64788114
2,3-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64787158
N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 64787154
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide
CID 79217596
N-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 115912202

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide (CID 64788897) is N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide is O=C(Nc1ccc(O)cc1Cl)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is LMODEDYYAKZPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO3/c14-7-3-5(19)1-2-9(7)18-13(21)6-4-8(15)11(17)12(20)10(6)16/h1-4,19-20H,(H,18,21).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide has a molecular weight of 317.65 g/mol, XLogP of 3.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 64788897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).