3-bromo-N'-tert-butyl-5-fluorobenzenecarboximidamide

C11H14BrFN2 — CID 66423711

IUPAC3-bromo-N'-tert-butyl-5-fluorobenzenecarboximidamide
SMILESCC(C)(C)/N=C(\N)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H14BrFN2/c1-11(2,3)15-10(14)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3,(H2,14,15)
InChIKeyQHFNEWIFSGPBKM-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.09
Rot. Bonds1

About 3-bromo-N'-tert-butyl-5-fluorobenzenecarboximidamide

3-bromo-N'-tert-butyl-5-fluorobenzenecarboximidamide (PubChem CID 66423711) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 3-bromo-N'-tert-butyl-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-N'-tert-butyl-5-fluorobenzenecarboximidamide
PubChem CID66423711
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name3-bromo-N'-tert-butyl-5-fluorobenzenecarboximidamide
SMILESCC(C)(C)/N=C(\N)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H14BrFN2/c1-11(2,3)15-10(14)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3,(H2,14,15)
InChIKeyQHFNEWIFSGPBKM-UHFFFAOYSA-N
XLogP3.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-amino-3-bromo-5-fluorobenzenecarboximidamide
CID 76898413
3-bromo-N-(3-carbamothioylpentan-3-yl)-5-fluorobenzamide
CID 61121402
3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 78883881
(3-bromo-5-fluorophenyl)-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone
CID 110629427
(3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43248240
(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130039777
2-methylpropyl 3-bromo-5-fluorobenzoate
CID 142440915
1-(3-bromo-5-fluorophenyl)-2-methylbutan-2-amine
CID 79702455
(E)-3-(3-bromo-5-fluorophenyl)but-2-enoic acid
CID 166092470
1-(2-bromo-5-fluorophenyl)-2-tert-butylguanidine
CID 107638216
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-bromo-5-fluoro-N-methylbenzamide
CID 54991594
1-(3-bromo-5-fluorophenyl)-3-ethylpentan-1-one
CID 82920792

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-tert-butyl-5-fluorobenzenecarboximidamide?
The IUPAC name of 3-bromo-N'-tert-butyl-5-fluorobenzenecarboximidamide (CID 66423711) is 3-bromo-N'-tert-butyl-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 3-bromo-N'-tert-butyl-5-fluorobenzenecarboximidamide?
The canonical SMILES for 3-bromo-N'-tert-butyl-5-fluorobenzenecarboximidamide is CC(C)(C)/N=C(\N)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-N'-tert-butyl-5-fluorobenzenecarboximidamide?
The InChIKey is QHFNEWIFSGPBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c1-11(2,3)15-10(14)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3,(H2,14,15).
What are the key properties of 3-bromo-N'-tert-butyl-5-fluorobenzenecarboximidamide?
3-bromo-N'-tert-butyl-5-fluorobenzenecarboximidamide has a molecular weight of 273.15 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-tert-butyl-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 66423711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).