2-amino-4-bromo-3,5,6-trifluorobenzamide

C7H4BrF3N2O — CID 164875926

IUPAC2-amino-4-bromo-3,5,6-trifluorobenzamide
SMILESNC(=O)c1c(N)c(F)c(Br)c(F)c1F
InChIInChI=1S/C7H4BrF3N2O/c8-2-4(10)3(9)1(7(13)14)6(12)5(2)11/h12H2,(H2,13,14)
InChIKeyWMFZBILFPXUBFN-UHFFFAOYSA-N
MW269.02 g/mol
LogP1.55
Rot. Bonds1

About 2-amino-4-bromo-3,5,6-trifluorobenzamide

2-amino-4-bromo-3,5,6-trifluorobenzamide (PubChem CID 164875926) has the molecular formula C7H4BrF3N2O and a molecular weight of 269.02 g/mol. Its IUPAC name is 2-amino-4-bromo-3,5,6-trifluorobenzamide.

Molecular Properties

Compound Name2-amino-4-bromo-3,5,6-trifluorobenzamide
PubChem CID164875926
Molecular FormulaC7H4BrF3N2O
Molecular Weight269.02 g/mol
Exact Mass267.95
IUPAC Name2-amino-4-bromo-3,5,6-trifluorobenzamide
SMILESNC(=O)c1c(N)c(F)c(Br)c(F)c1F
InChIInChI=1S/C7H4BrF3N2O/c8-2-4(10)3(9)1(7(13)14)6(12)5(2)11/h12H2,(H2,13,14)
InChIKeyWMFZBILFPXUBFN-UHFFFAOYSA-N
XLogP1.55
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.02
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-chloro-3,5,6-trifluorobenzamide;2-bromo-4-chloro-3,5,6-trifluorobenzoic acid
CID 167668440
3,6-dibromo-2-fluorobenzamide
CID 121228046
2,3,5-trifluorobenzene-1,4-dicarboxamide
CID 87161201
2-amino-3,4,5,6-tetrafluorobenzoic acid
CID 139081576
2-amino-3-bromo-4-fluorobenzamide
CID 139748040
2-bromo-6-chloro-3-fluorobenzamide
CID 131617846
2-amino-4,6-dibromo-3-fluorobenzoic acid
CID 169315421
2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide
CID 101118820
4-bromo-2,6-difluoro-3-nitrobenzamide
CID 118338248
benzyl 4-bromo-2,3,5,6-tetrafluorobenzoate
CID 172646645
1-(2-acetyl-6-amino-3,4,5-trifluorophenyl)ethanone
CID 87737254
2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylbenzamide
CID 168515661

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-3,5,6-trifluorobenzamide?
The IUPAC name of 2-amino-4-bromo-3,5,6-trifluorobenzamide (CID 164875926) is 2-amino-4-bromo-3,5,6-trifluorobenzamide.
What is the SMILES notation for 2-amino-4-bromo-3,5,6-trifluorobenzamide?
The canonical SMILES for 2-amino-4-bromo-3,5,6-trifluorobenzamide is NC(=O)c1c(N)c(F)c(Br)c(F)c1F.
What is the InChIKey of 2-amino-4-bromo-3,5,6-trifluorobenzamide?
The InChIKey is WMFZBILFPXUBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3N2O/c8-2-4(10)3(9)1(7(13)14)6(12)5(2)11/h12H2,(H2,13,14).
What are the key properties of 2-amino-4-bromo-3,5,6-trifluorobenzamide?
2-amino-4-bromo-3,5,6-trifluorobenzamide has a molecular weight of 269.02 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-3,5,6-trifluorobenzamide is sourced from PubChem (CID 164875926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).