N-amino-2-chloro-4-fluoro-N'-propylbenzenecarboximidamide

C10H13ClFN3 — CID 61360872

IUPACN-amino-2-chloro-4-fluoro-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\NN)c1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFN3/c1-2-5-14-10(15-13)8-4-3-7(12)6-9(8)11/h3-4,6H,2,5,13H2,1H3,(H,14,15)
InChIKeyXEEHOOORNOPAEU-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.10
Rot. Bonds3

About N-amino-2-chloro-4-fluoro-N'-propylbenzenecarboximidamide

N-amino-2-chloro-4-fluoro-N'-propylbenzenecarboximidamide (PubChem CID 61360872) has the molecular formula C10H13ClFN3 and a molecular weight of 229.69 g/mol. Its IUPAC name is N-amino-2-chloro-4-fluoro-N'-propylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2-chloro-4-fluoro-N'-propylbenzenecarboximidamide
PubChem CID61360872
Molecular FormulaC10H13ClFN3
Molecular Weight229.69 g/mol
Exact Mass229.08
IUPAC NameN-amino-2-chloro-4-fluoro-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\NN)c1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFN3/c1-2-5-14-10(15-13)8-4-3-7(12)6-9(8)11/h3-4,6H,2,5,13H2,1H3,(H,14,15)
InChIKeyXEEHOOORNOPAEU-UHFFFAOYSA-N
XLogP2.10
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.10
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-2-chloro-4-fluoro-N'-propylbenzenecarboximidamide?
The IUPAC name of N-amino-2-chloro-4-fluoro-N'-propylbenzenecarboximidamide (CID 61360872) is N-amino-2-chloro-4-fluoro-N'-propylbenzenecarboximidamide.
What is the SMILES notation for N-amino-2-chloro-4-fluoro-N'-propylbenzenecarboximidamide?
The canonical SMILES for N-amino-2-chloro-4-fluoro-N'-propylbenzenecarboximidamide is CCC/N=C(\NN)c1ccc(F)cc1Cl.
What is the InChIKey of N-amino-2-chloro-4-fluoro-N'-propylbenzenecarboximidamide?
The InChIKey is XEEHOOORNOPAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3/c1-2-5-14-10(15-13)8-4-3-7(12)6-9(8)11/h3-4,6H,2,5,13H2,1H3,(H,14,15).
What are the key properties of N-amino-2-chloro-4-fluoro-N'-propylbenzenecarboximidamide?
N-amino-2-chloro-4-fluoro-N'-propylbenzenecarboximidamide has a molecular weight of 229.69 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-chloro-4-fluoro-N'-propylbenzenecarboximidamide is sourced from PubChem (CID 61360872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).