2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide

C11H14BrFN2O2 — CID 107536748

IUPAC2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCOC)c(F)c1Br
InChIInChI=1S/C11H14BrFN2O2/c1-16-5-2-6-17-8-4-3-7(11(14)15)9(12)10(8)13/h3-4H,2,5-6H2,1H3,(H3,14,15)
InChIKeyGDTWVSQGTMUBQG-UHFFFAOYSA-N
MW305.15 g/mol
LogP2.29
Rot. Bonds6

About 2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide

2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide (PubChem CID 107536748) has the molecular formula C11H14BrFN2O2 and a molecular weight of 305.15 g/mol. Its IUPAC name is 2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide
PubChem CID107536748
Molecular FormulaC11H14BrFN2O2
Molecular Weight305.15 g/mol
Exact Mass304.02
IUPAC Name2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCOC)c(F)c1Br
InChIInChI=1S/C11H14BrFN2O2/c1-16-5-2-6-17-8-4-3-7(11(14)15)9(12)10(8)13/h3-4H,2,5-6H2,1H3,(H3,14,15)
InChIKeyGDTWVSQGTMUBQG-UHFFFAOYSA-N
XLogP2.29
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide
CID 107536715
2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide
CID 107536735
2-bromo-3-fluoro-4-(3-methylbutoxy)benzenecarboximidamide
CID 107536685
2-bromo-3-fluoro-4-methoxybenzenecarboximidamide
CID 107536678
2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 107536667
2-bromo-3-fluoro-4-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 107535726
2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 107536673
2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide
CID 107536771
2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide
CID 107536662
2-bromo-4-(4-bromophenoxy)-3-fluorobenzenecarboximidamide
CID 107536654
2-bromo-3-fluoro-4-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 107536782
2-bromo-4-[ethyl(1-methoxypropan-2-yl)amino]-3-fluorobenzenecarboximidamide
CID 107536427

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide (CID 107536748) is 2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCCOC)c(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide?
The InChIKey is GDTWVSQGTMUBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2/c1-16-5-2-6-17-8-4-3-7(11(14)15)9(12)10(8)13/h3-4H,2,5-6H2,1H3,(H3,14,15).
What are the key properties of 2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide?
2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide has a molecular weight of 305.15 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide is sourced from PubChem (CID 107536748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).