2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide

C9H6Br2F3NO2 — CID 114374002

IUPAC2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NOCC(F)(F)F)c1cc(Br)ccc1Br
InChIInChI=1S/C9H6Br2F3NO2/c10-5-1-2-7(11)6(3-5)8(16)15-17-4-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyZKVGOMILEIJZOG-UHFFFAOYSA-N
MW376.95 g/mol
LogP3.44
Rot. Bonds3

About 2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide

2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 114374002) has the molecular formula C9H6Br2F3NO2 and a molecular weight of 376.95 g/mol. Its IUPAC name is 2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide
PubChem CID114374002
Molecular FormulaC9H6Br2F3NO2
Molecular Weight376.95 g/mol
Exact Mass374.87
IUPAC Name2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NOCC(F)(F)F)c1cc(Br)ccc1Br
InChIInChI=1S/C9H6Br2F3NO2/c10-5-1-2-7(11)6(3-5)8(16)15-17-4-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyZKVGOMILEIJZOG-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-(2,2,2-trifluoroethoxy)benzamide
CID 82721457
5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 103793439
4-bromo-2-methoxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 81339730
3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 113364345
5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 81343082
2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340977
2,5-dibromo-N-carbamoylbenzamide
CID 114375953
2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide
CID 81339728
N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide
CID 114372871
2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 81341000
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide (CID 114374002) is 2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide is O=C(NOCC(F)(F)F)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is ZKVGOMILEIJZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2F3NO2/c10-5-1-2-7(11)6(3-5)8(16)15-17-4-9(12,13)14/h1-3H,4H2,(H,15,16).
What are the key properties of 2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide?
2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 376.95 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 114374002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).