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

C11H15BrFN3 — CID 61361915

IUPACN-amino-4-bromo-N'-tert-butyl-2-fluorobenzenecarboximidamide
SMILESCC(C)(C)/N=C(\NN)c1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFN3/c1-11(2,3)15-10(16-14)8-5-4-7(12)6-9(8)13/h4-6H,14H2,1-3H3,(H,15,16)
InChIKeyUDGYDOKOXCAYPS-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.60
Rot. Bonds1

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

N-amino-4-bromo-N'-tert-butyl-2-fluorobenzenecarboximidamide (PubChem CID 61361915) has the molecular formula C11H15BrFN3 and a molecular weight of 288.16 g/mol. Its IUPAC name is N-amino-4-bromo-N'-tert-butyl-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-4-bromo-N'-tert-butyl-2-fluorobenzenecarboximidamide
PubChem CID61361915
Molecular FormulaC11H15BrFN3
Molecular Weight288.16 g/mol
Exact Mass287.04
IUPAC NameN-amino-4-bromo-N'-tert-butyl-2-fluorobenzenecarboximidamide
SMILESCC(C)(C)/N=C(\NN)c1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFN3/c1-11(2,3)15-10(16-14)8-5-4-7(12)6-9(8)13/h4-6H,14H2,1-3H3,(H,15,16)
InChIKeyUDGYDOKOXCAYPS-UHFFFAOYSA-N
XLogP2.60
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.60
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

5-(4-Bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 853332
N'-Amino-4-bromobenzene-1-carboximidamide
CID 75480382
4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide
CID 58830633
N-amino-4-bromo-2-fluoro-N'-methylbenzenecarboximidamide
CID 58955318
3-bromo-N'-cyano-4-fluorobenzenecarboximidamide
CID 59475732
5-(4-Bromo-2-fluorophenyl)-2-methyl-1,3-dihydrotetrazole
CID 68430121
3-(4-Bromo-3,5-difluorophenyl)-1,2-dihydro-1,2,4-triazole-3,5-diamine
CID 90030842
4-bromo-2-fluoro-N'-methylbenzenecarboximidamide
CID 90439651
N'-amino-4-bromo-2-fluorobenzenecarboximidamide
CID 112498892
5-bromo-2-fluoro-N'-methylbenzenecarboximidamide
CID 116827828
4-bromo-N'-butyl-2-fluorobenzenecarboximidamide
CID 123861106
4-bromo-3-fluoro-N'-methanimidoylbenzenecarboximidamide
CID 143629562

Frequently Asked Questions

What is the IUPAC name of N-amino-4-bromo-N'-tert-butyl-2-fluorobenzenecarboximidamide?
The IUPAC name of N-amino-4-bromo-N'-tert-butyl-2-fluorobenzenecarboximidamide (CID 61361915) is N-amino-4-bromo-N'-tert-butyl-2-fluorobenzenecarboximidamide.
What is the SMILES notation for N-amino-4-bromo-N'-tert-butyl-2-fluorobenzenecarboximidamide?
The canonical SMILES for N-amino-4-bromo-N'-tert-butyl-2-fluorobenzenecarboximidamide is CC(C)(C)/N=C(\NN)c1ccc(Br)cc1F.
What is the InChIKey of N-amino-4-bromo-N'-tert-butyl-2-fluorobenzenecarboximidamide?
The InChIKey is UDGYDOKOXCAYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN3/c1-11(2,3)15-10(16-14)8-5-4-7(12)6-9(8)13/h4-6H,14H2,1-3H3,(H,15,16).
What are the key properties of N-amino-4-bromo-N'-tert-butyl-2-fluorobenzenecarboximidamide?
N-amino-4-bromo-N'-tert-butyl-2-fluorobenzenecarboximidamide has a molecular weight of 288.16 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-bromo-N'-tert-butyl-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 61361915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).