5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide

C12H13BrF4N2O — CID 115514877

IUPAC5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
SMILESNc1cc(C(=O)NCCCCC(F)(F)F)c(Br)cc1F
InChIInChI=1S/C12H13BrF4N2O/c13-8-6-9(14)10(18)5-7(8)11(20)19-4-2-1-3-12(15,16)17/h5-6H,1-4,18H2,(H,19,20)
InChIKeyQZSTWBPPLBXWAV-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.63
Rot. Bonds5

About 5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide

5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide (PubChem CID 115514877) has the molecular formula C12H13BrF4N2O and a molecular weight of 357.15 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
PubChem CID115514877
Molecular FormulaC12H13BrF4N2O
Molecular Weight357.15 g/mol
Exact Mass356.01
IUPAC Name5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
SMILESNc1cc(C(=O)NCCCCC(F)(F)F)c(Br)cc1F
InChIInChI=1S/C12H13BrF4N2O/c13-8-6-9(14)10(18)5-7(8)11(20)19-4-2-1-3-12(15,16)17/h5-6H,1-4,18H2,(H,19,20)
InChIKeyQZSTWBPPLBXWAV-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-5-amino-2-bromo-4-fluorobenzamide
CID 55118573
2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide
CID 103839346
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
2-bromo-4-fluoro-N-(4,4,4-trifluorobutyl)benzamide
CID 79039788
3-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 103839347
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083
4-bromo-2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65398773
5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide
CID 62815079
5-amino-2-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62815101
5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
CID 62815767
2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
CID 103839434
5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65103459

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide (CID 115514877) is 5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide is Nc1cc(C(=O)NCCCCC(F)(F)F)c(Br)cc1F.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide?
The InChIKey is QZSTWBPPLBXWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF4N2O/c13-8-6-9(14)10(18)5-7(8)11(20)19-4-2-1-3-12(15,16)17/h5-6H,1-4,18H2,(H,19,20).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide?
5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide has a molecular weight of 357.15 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide is sourced from PubChem (CID 115514877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).