N-amino-5-bromo-2-fluoro-N'-propylbenzenecarboximidamide

C10H13BrFN3 — CID 61361881

IUPACN-amino-5-bromo-2-fluoro-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\NN)c1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFN3/c1-2-5-14-10(15-13)8-6-7(11)3-4-9(8)12/h3-4,6H,2,5,13H2,1H3,(H,14,15)
InChIKeyOWLAVACWECZVID-UHFFFAOYSA-N
MW274.14 g/mol
LogP2.21
Rot. Bonds3

About N-amino-5-bromo-2-fluoro-N'-propylbenzenecarboximidamide

N-amino-5-bromo-2-fluoro-N'-propylbenzenecarboximidamide (PubChem CID 61361881) has the molecular formula C10H13BrFN3 and a molecular weight of 274.14 g/mol. Its IUPAC name is N-amino-5-bromo-2-fluoro-N'-propylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-5-bromo-2-fluoro-N'-propylbenzenecarboximidamide
PubChem CID61361881
Molecular FormulaC10H13BrFN3
Molecular Weight274.14 g/mol
Exact Mass273.03
IUPAC NameN-amino-5-bromo-2-fluoro-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\NN)c1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFN3/c1-2-5-14-10(15-13)8-6-7(11)3-4-9(8)12/h3-4,6H,2,5,13H2,1H3,(H,14,15)
InChIKeyOWLAVACWECZVID-UHFFFAOYSA-N
XLogP2.21
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of N-amino-5-bromo-2-fluoro-N'-propylbenzenecarboximidamide?
The IUPAC name of N-amino-5-bromo-2-fluoro-N'-propylbenzenecarboximidamide (CID 61361881) is N-amino-5-bromo-2-fluoro-N'-propylbenzenecarboximidamide.
What is the SMILES notation for N-amino-5-bromo-2-fluoro-N'-propylbenzenecarboximidamide?
The canonical SMILES for N-amino-5-bromo-2-fluoro-N'-propylbenzenecarboximidamide is CCC/N=C(\NN)c1cc(Br)ccc1F.
What is the InChIKey of N-amino-5-bromo-2-fluoro-N'-propylbenzenecarboximidamide?
The InChIKey is OWLAVACWECZVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN3/c1-2-5-14-10(15-13)8-6-7(11)3-4-9(8)12/h3-4,6H,2,5,13H2,1H3,(H,14,15).
What are the key properties of N-amino-5-bromo-2-fluoro-N'-propylbenzenecarboximidamide?
N-amino-5-bromo-2-fluoro-N'-propylbenzenecarboximidamide has a molecular weight of 274.14 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-5-bromo-2-fluoro-N'-propylbenzenecarboximidamide is sourced from PubChem (CID 61361881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).