4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide

C10H10BrFN2 — CID 58830633

IUPAC4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide
SMILESN/C(=N\C1CC1)c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrFN2/c11-6-1-4-8(9(12)5-6)10(13)14-7-2-3-7/h1,4-5,7H,2-3H2,(H2,13,14)
InChIKeyLLFZOVZLWPIGSW-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.46
Rot. Bonds2

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

4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide (PubChem CID 58830633) has the molecular formula C10H10BrFN2 and a molecular weight of 257.11 g/mol. Its IUPAC name is 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide
PubChem CID58830633
Molecular FormulaC10H10BrFN2
Molecular Weight257.11 g/mol
Exact Mass256.00
IUPAC Name4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide
SMILESN/C(=N\C1CC1)c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrFN2/c11-6-1-4-8(9(12)5-6)10(13)14-7-2-3-7/h1,4-5,7H,2-3H2,(H2,13,14)
InChIKeyLLFZOVZLWPIGSW-UHFFFAOYSA-N
XLogP2.46
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide?
The IUPAC name of 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide (CID 58830633) is 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide?
The canonical SMILES for 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide is N/C(=N\C1CC1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide?
The InChIKey is LLFZOVZLWPIGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2/c11-6-1-4-8(9(12)5-6)10(13)14-7-2-3-7/h1,4-5,7H,2-3H2,(H2,13,14).
What are the key properties of 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide?
4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide has a molecular weight of 257.11 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 58830633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).