N'-amino-2-bromo-4-fluorobenzenecarboximidamide

C7H7BrFN3 — CID 61360545

IUPACN'-amino-2-bromo-4-fluorobenzenecarboximidamide
SMILESNN=C(N)c1ccc(F)cc1Br
InChIInChI=1S/C7H7BrFN3/c8-6-3-4(9)1-2-5(6)7(10)12-11/h1-3H,11H2,(H2,10,12)
InChIKeyFPTDFHVXQKVBQE-UHFFFAOYSA-N
MW232.06 g/mol
LogP1.17
Rot. Bonds1

About N'-amino-2-bromo-4-fluorobenzenecarboximidamide

N'-amino-2-bromo-4-fluorobenzenecarboximidamide (PubChem CID 61360545) has the molecular formula C7H7BrFN3 and a molecular weight of 232.06 g/mol. Its IUPAC name is N'-amino-2-bromo-4-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-2-bromo-4-fluorobenzenecarboximidamide
PubChem CID61360545
Molecular FormulaC7H7BrFN3
Molecular Weight232.06 g/mol
Exact Mass230.98
IUPAC NameN'-amino-2-bromo-4-fluorobenzenecarboximidamide
SMILESNN=C(N)c1ccc(F)cc1Br
InChIInChI=1S/C7H7BrFN3/c8-6-3-4(9)1-2-5(6)7(10)12-11/h1-3H,11H2,(H2,10,12)
InChIKeyFPTDFHVXQKVBQE-UHFFFAOYSA-N
XLogP1.17
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.06
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 107275304
N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide
CID 86594416
N'-amino-4-bromo-2-fluorobenzenecarboximidamide
CID 61361560
N'-amino-2-bromo-3,4-difluorobenzenecarboximidamide
CID 107539610
2-bromo-4-fluorobenzohydrazide
CID 16780865
2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one
CID 84705510
N,N-bis(2-amino-2-oxoethyl)-2-bromo-4-fluorobenzamide
CID 55156067
(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone
CID 43160008
N'-amino-4-fluorobenzenecarboximidamide;hydrochloride
CID 68690299
1-(2-bromo-4-fluorophenyl)prop-2-yn-1-one
CID 114978563
2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 107279000
2-bromo-4,5-difluorobenzoic acid;2-bromo-4-fluorobenzoic acid
CID 175275604

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-bromo-4-fluorobenzenecarboximidamide?
The IUPAC name of N'-amino-2-bromo-4-fluorobenzenecarboximidamide (CID 61360545) is N'-amino-2-bromo-4-fluorobenzenecarboximidamide.
What is the SMILES notation for N'-amino-2-bromo-4-fluorobenzenecarboximidamide?
The canonical SMILES for N'-amino-2-bromo-4-fluorobenzenecarboximidamide is NN=C(N)c1ccc(F)cc1Br.
What is the InChIKey of N'-amino-2-bromo-4-fluorobenzenecarboximidamide?
The InChIKey is FPTDFHVXQKVBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFN3/c8-6-3-4(9)1-2-5(6)7(10)12-11/h1-3H,11H2,(H2,10,12).
What are the key properties of N'-amino-2-bromo-4-fluorobenzenecarboximidamide?
N'-amino-2-bromo-4-fluorobenzenecarboximidamide has a molecular weight of 232.06 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-bromo-4-fluorobenzenecarboximidamide is sourced from PubChem (CID 61360545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).