N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide

C14H9ClF3NO3 — CID 139014844

IUPACN-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(O)cc1Cl)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9ClF3NO3/c15-10-7-8(20)5-6-11(10)19-13(21)9-3-1-2-4-12(9)22-14(16,17)18/h1-7,20H,(H,19,21)
InChIKeyZCDIGCDKQZKDJM-UHFFFAOYSA-N
MW331.68 g/mol
LogP4.20
Rot. Bonds3

About N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide

N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide (PubChem CID 139014844) has the molecular formula C14H9ClF3NO3 and a molecular weight of 331.68 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide
PubChem CID139014844
Molecular FormulaC14H9ClF3NO3
Molecular Weight331.68 g/mol
Exact Mass331.02
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(O)cc1Cl)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9ClF3NO3/c15-10-7-8(20)5-6-11(10)19-13(21)9-3-1-2-4-12(9)22-14(16,17)18/h1-7,20H,(H,19,21)
InChIKeyZCDIGCDKQZKDJM-UHFFFAOYSA-N
XLogP4.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.68
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 64787154
2,3-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64787158
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide
CID 79217596
6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide
CID 156880888
N-(2-chloro-4-hydroxyphenyl)-2,4-difluorobenzamide
CID 64786772
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide
CID 65434031
2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074
5-chloro-N-(2-chloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 64787348
N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 64788897
N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide
CID 136773882
N-[6-bromo-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-2-(trifluoromethoxy)benzamide
CID 166821771

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide (CID 139014844) is N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide is O=C(Nc1ccc(O)cc1Cl)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide?
The InChIKey is ZCDIGCDKQZKDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO3/c15-10-7-8(20)5-6-11(10)19-13(21)9-3-1-2-4-12(9)22-14(16,17)18/h1-7,20H,(H,19,21).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide?
N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide has a molecular weight of 331.68 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 139014844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).