N-hydroxy-4-(trifluoromethyl)benzamide

C8H6F3NO2 — CID 589461

IUPACN-hydroxy-4-(trifluoromethyl)benzamide
SMILESO=C(NO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)6-3-1-5(2-4-6)7(13)12-14/h1-4,14H,(H,12,13)
InChIKeyUNALIBYADVEBGQ-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.82
Rot. Bonds1

About N-hydroxy-4-(trifluoromethyl)benzamide

N-hydroxy-4-(trifluoromethyl)benzamide (PubChem CID 589461) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is N-hydroxy-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-hydroxy-4-(trifluoromethyl)benzamide
PubChem CID589461
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC NameN-hydroxy-4-(trifluoromethyl)benzamide
SMILESO=C(NO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)6-3-1-5(2-4-6)7(13)12-14/h1-4,14H,(H,12,13)
InChIKeyUNALIBYADVEBGQ-UHFFFAOYSA-N
XLogP1.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Benzamide
CID 2331
Benzohydroxamic acid
CID 10313
2,6-Difluorobenzamide
CID 87439
2-Trifluoromethylbenzamide
CID 67759
4-Fluorobenzamide
CID 71572
4-Methylbenzamide
CID 69274
Carboxycinnamic Acid Bishydroxamide
CID 5353484
2-Fluorobenzamide
CID 67964
Terephthalamide
CID 76381
N-hydroxy-4-methylbenzamide
CID 426839
N-Hydroxy-4-iodobenzamide
CID 615643
Biphenylhydroxamic acid
CID 44369716

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(trifluoromethyl)benzamide?
The IUPAC name of N-hydroxy-4-(trifluoromethyl)benzamide (CID 589461) is N-hydroxy-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-hydroxy-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-hydroxy-4-(trifluoromethyl)benzamide is O=C(NO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-hydroxy-4-(trifluoromethyl)benzamide?
The InChIKey is UNALIBYADVEBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c9-8(10,11)6-3-1-5(2-4-6)7(13)12-14/h1-4,14H,(H,12,13).
What are the key properties of N-hydroxy-4-(trifluoromethyl)benzamide?
N-hydroxy-4-(trifluoromethyl)benzamide has a molecular weight of 205.13 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 589461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).