N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide

C14H10F3NO4 — CID 118180284

IUPACN,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(NO)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1O
InChIInChI=1S/C14H10F3NO4/c15-14(16,17)22-10-4-1-8(2-5-10)9-3-6-12(19)11(7-9)13(20)18-21/h1-7,19,21H,(H,18,20)
InChIKeyQCLIDBFPPRIQKI-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.08
Rot. Bonds3

About N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide

N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 118180284) has the molecular formula C14H10F3NO4 and a molecular weight of 313.23 g/mol. Its IUPAC name is N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound NameN,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID118180284
Molecular FormulaC14H10F3NO4
Molecular Weight313.23 g/mol
Exact Mass313.06
IUPAC NameN,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(NO)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1O
InChIInChI=1S/C14H10F3NO4/c15-14(16,17)22-10-4-1-8(2-5-10)9-3-6-12(19)11(7-9)13(20)18-21/h1-7,19,21H,(H,18,20)
InChIKeyQCLIDBFPPRIQKI-UHFFFAOYSA-N
XLogP3.08
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide
CID 170794904
2-amino-4-[4-(trifluoromethoxy)phenyl]phenol
CID 162558400
2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
CID 53219695
2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
2-nitro-4-[4-(trifluoromethoxy)phenyl]phenol
CID 53221716
2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
CID 134639003
2-benzamido-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 67342853
methyl 2-nitro-5-[4-(trifluoromethoxy)phenyl]benzoate
CID 134635343
5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 18225179
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride
CID 118845542
2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 134626175

Frequently Asked Questions

What is the IUPAC name of N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide (CID 118180284) is N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide is O=C(NO)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1O.
What is the InChIKey of N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is QCLIDBFPPRIQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO4/c15-14(16,17)22-10-4-1-8(2-5-10)9-3-6-12(19)11(7-9)13(20)18-21/h1-7,19,21H,(H,18,20).
What are the key properties of N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide?
N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 313.23 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 118180284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).