N-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide

C10H5BrF3N3O — CID 11244107

IUPACN-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc2ccccc2nc1Br)C(F)(F)F
InChIInChI=1S/C10H5BrF3N3O/c11-7-8(17-9(18)10(12,13)14)16-6-4-2-1-3-5(6)15-7/h1-4H,(H,16,17,18)
InChIKeyBESFSBVNFJHXNP-UHFFFAOYSA-N
MW320.07 g/mol
LogP2.89
Rot. Bonds1

About N-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide

N-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 11244107) has the molecular formula C10H5BrF3N3O and a molecular weight of 320.07 g/mol. Its IUPAC name is N-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide
PubChem CID11244107
Molecular FormulaC10H5BrF3N3O
Molecular Weight320.07 g/mol
Exact Mass318.96
IUPAC NameN-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc2ccccc2nc1Br)C(F)(F)F
InChIInChI=1S/C10H5BrF3N3O/c11-7-8(17-9(18)10(12,13)14)16-6-4-2-1-3-5(6)15-7/h1-4H,(H,16,17,18)
InChIKeyBESFSBVNFJHXNP-UHFFFAOYSA-N
XLogP2.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.07
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 19287096
N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide
CID 10215170
quinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 174627542
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
2,2,2-trifluoro-N-phenylacetamide;yttrium(3+)
CID 54717323
2,2,2-trifluoro-N-phenoxyacetamide
CID 86124440
methyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate
CID 86629411
2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 825300
2,2,2-trifluoro-N-(4-phenyl-2-quinoxalin-2-yl-1,3-thiazol-5-yl)acetamide
CID 89261160
3-(2-bromoanilino)quinoxaline-2-carboxylic acid
CID 134093869
N-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide
CID 10337037
6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
CID 63644130

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide (CID 11244107) is N-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide is O=C(Nc1nc2ccccc2nc1Br)C(F)(F)F.
What is the InChIKey of N-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is BESFSBVNFJHXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3N3O/c11-7-8(17-9(18)10(12,13)14)16-6-4-2-1-3-5(6)15-7/h1-4H,(H,16,17,18).
What are the key properties of N-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide?
N-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 320.07 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoquinoxalin-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11244107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).