5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide

C9H7BrF3NO3 — CID 103793439

IUPAC5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NOCC(F)(F)F)c1cc(Br)ccc1O
InChIInChI=1S/C9H7BrF3NO3/c10-5-1-2-7(15)6(3-5)8(16)14-17-4-9(11,12)13/h1-3,15H,4H2,(H,14,16)
InChIKeyYHRRSHLTMLDQIE-UHFFFAOYSA-N
MW314.06 g/mol
LogP2.38
Rot. Bonds3

About 5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide

5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 103793439) has the molecular formula C9H7BrF3NO3 and a molecular weight of 314.06 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide
PubChem CID103793439
Molecular FormulaC9H7BrF3NO3
Molecular Weight314.06 g/mol
Exact Mass312.96
IUPAC Name5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NOCC(F)(F)F)c1cc(Br)ccc1O
InChIInChI=1S/C9H7BrF3NO3/c10-5-1-2-7(15)6(3-5)8(16)14-17-4-9(11,12)13/h1-3,15H,4H2,(H,14,16)
InChIKeyYHRRSHLTMLDQIE-UHFFFAOYSA-N
XLogP2.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.06
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide
CID 114374002
4-bromo-2-methoxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 81339730
5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
CID 47456163
5-amino-2-bromo-N-(2,2,2-trifluoroethoxy)benzamide
CID 82721457
5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 81343082
3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 82722087
2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340977
3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 113364345
2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide
CID 81339728
5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide
CID 107730406
5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 113235186
N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
CID 104872204

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide (CID 103793439) is 5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide is O=C(NOCC(F)(F)F)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is YHRRSHLTMLDQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3NO3/c10-5-1-2-7(15)6(3-5)8(16)14-17-4-9(11,12)13/h1-3,15H,4H2,(H,14,16).
What are the key properties of 5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide?
5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 314.06 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 103793439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).