N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide

C14H8Cl2F3NO2 — CID 108808083

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8Cl2F3NO2/c15-10-5-7(6-11(16)12(10)21)20-13(22)8-3-1-2-4-9(8)14(17,18)19/h1-6,21H,(H,20,22)
InChIKeyIYGCHYWBNYQWIV-UHFFFAOYSA-N
MW350.12 g/mol
LogP4.97
Rot. Bonds2

About N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide

N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 108808083) has the molecular formula C14H8Cl2F3NO2 and a molecular weight of 350.12 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
PubChem CID108808083
Molecular FormulaC14H8Cl2F3NO2
Molecular Weight350.12 g/mol
Exact Mass348.99
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8Cl2F3NO2/c15-10-5-7(6-11(16)12(10)21)20-13(22)8-3-1-2-4-9(8)14(17,18)19/h1-6,21H,(H,20,22)
InChIKeyIYGCHYWBNYQWIV-UHFFFAOYSA-N
XLogP4.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.12
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 139177364
N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
CID 46530485
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide
CID 82884561
N-(3-aminophenyl)-2-(trifluoromethyl)benzamide
CID 16774950
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(trifluoromethyl)benzamide
CID 32738196
N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107575419
2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide
CID 56697988
N-(1,2-oxazol-4-yl)-2-(trifluoromethyl)benzamide
CID 71797723

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide (CID 108808083) is N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide is O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is IYGCHYWBNYQWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3NO2/c15-10-5-7(6-11(16)12(10)21)20-13(22)8-3-1-2-4-9(8)14(17,18)19/h1-6,21H,(H,20,22).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide?
N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 350.12 g/mol, XLogP of 4.97, 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)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 108808083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).