N'-amino-3-chloro-5-fluorobenzenecarboximidamide

C7H7ClFN3 — CID 114454378

IUPACN'-amino-3-chloro-5-fluorobenzenecarboximidamide
SMILESN/N=C(/N)c1cc(F)cc(Cl)c1
InChIInChI=1S/C7H7ClFN3/c8-5-1-4(7(10)12-11)2-6(9)3-5/h1-3H,11H2,(H2,10,12)
InChIKeyJRTZIYPIODCGDY-UHFFFAOYSA-N
MW187.61 g/mol
LogP1.06
Rot. Bonds1

About N'-amino-3-chloro-5-fluorobenzenecarboximidamide

N'-amino-3-chloro-5-fluorobenzenecarboximidamide (PubChem CID 114454378) has the molecular formula C7H7ClFN3 and a molecular weight of 187.61 g/mol. Its IUPAC name is N'-amino-3-chloro-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-3-chloro-5-fluorobenzenecarboximidamide
PubChem CID114454378
Molecular FormulaC7H7ClFN3
Molecular Weight187.61 g/mol
Exact Mass187.03
IUPAC NameN'-amino-3-chloro-5-fluorobenzenecarboximidamide
SMILESN/N=C(/N)c1cc(F)cc(Cl)c1
InChIInChI=1S/C7H7ClFN3/c8-5-1-4(7(10)12-11)2-6(9)3-5/h1-3H,11H2,(H2,10,12)
InChIKeyJRTZIYPIODCGDY-UHFFFAOYSA-N
XLogP1.06
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.61
LogP ≤ 51.06
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-3-chloro-5-fluorobenzenecarboximidamide?
The IUPAC name of N'-amino-3-chloro-5-fluorobenzenecarboximidamide (CID 114454378) is N'-amino-3-chloro-5-fluorobenzenecarboximidamide.
What is the SMILES notation for N'-amino-3-chloro-5-fluorobenzenecarboximidamide?
The canonical SMILES for N'-amino-3-chloro-5-fluorobenzenecarboximidamide is N/N=C(/N)c1cc(F)cc(Cl)c1.
What is the InChIKey of N'-amino-3-chloro-5-fluorobenzenecarboximidamide?
The InChIKey is JRTZIYPIODCGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN3/c8-5-1-4(7(10)12-11)2-6(9)3-5/h1-3H,11H2,(H2,10,12).
What are the key properties of N'-amino-3-chloro-5-fluorobenzenecarboximidamide?
N'-amino-3-chloro-5-fluorobenzenecarboximidamide has a molecular weight of 187.61 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-chloro-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 114454378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).