N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide

C13H6Cl2F3NO2 — CID 82881371

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H6Cl2F3NO2/c14-7-3-6(4-8(15)12(7)20)19-13(21)5-1-9(16)11(18)10(17)2-5/h1-4,20H,(H,19,21)
InChIKeyAXUFRUNVXQPCJH-UHFFFAOYSA-N
MW336.10 g/mol
LogP4.37
Rot. Bonds2

About N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide

N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide (PubChem CID 82881371) has the molecular formula C13H6Cl2F3NO2 and a molecular weight of 336.10 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide
PubChem CID82881371
Molecular FormulaC13H6Cl2F3NO2
Molecular Weight336.10 g/mol
Exact Mass334.97
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H6Cl2F3NO2/c14-7-3-6(4-8(15)12(7)20)19-13(21)5-1-9(16)11(18)10(17)2-5/h1-4,20H,(H,19,21)
InChIKeyAXUFRUNVXQPCJH-UHFFFAOYSA-N
XLogP4.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.10
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 5119664
4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide
CID 82811248
3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide
CID 169122474
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 82885015
4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 63185686
3,4-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 82885265
4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 107679537
3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64782946
5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 169122460
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide
CID 107578422
N-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide
CID 82884651

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide (CID 82881371) is N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide is O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide?
The InChIKey is AXUFRUNVXQPCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F3NO2/c14-7-3-6(4-8(15)12(7)20)19-13(21)5-1-9(16)11(18)10(17)2-5/h1-4,20H,(H,19,21).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide?
N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide has a molecular weight of 336.10 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide is sourced from PubChem (CID 82881371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).