N-amino-4-chloro-N'-cyclopropyl-2-fluorobenzenecarboximidamide

C10H11ClFN3 — CID 61361298

IUPACN-amino-4-chloro-N'-cyclopropyl-2-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CC1)c1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFN3/c11-6-1-4-8(9(12)5-6)10(15-13)14-7-2-3-7/h1,4-5,7H,2-3,13H2,(H,14,15)
InChIKeyXCSOEUNJNHZQTG-UHFFFAOYSA-N
MW227.67 g/mol
LogP1.85
Rot. Bonds2

About N-amino-4-chloro-N'-cyclopropyl-2-fluorobenzenecarboximidamide

N-amino-4-chloro-N'-cyclopropyl-2-fluorobenzenecarboximidamide (PubChem CID 61361298) has the molecular formula C10H11ClFN3 and a molecular weight of 227.67 g/mol. Its IUPAC name is N-amino-4-chloro-N'-cyclopropyl-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-4-chloro-N'-cyclopropyl-2-fluorobenzenecarboximidamide
PubChem CID61361298
Molecular FormulaC10H11ClFN3
Molecular Weight227.67 g/mol
Exact Mass227.06
IUPAC NameN-amino-4-chloro-N'-cyclopropyl-2-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CC1)c1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFN3/c11-6-1-4-8(9(12)5-6)10(15-13)14-7-2-3-7/h1,4-5,7H,2-3,13H2,(H,14,15)
InChIKeyXCSOEUNJNHZQTG-UHFFFAOYSA-N
XLogP1.85
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 51.85
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-4-chloro-N'-cyclopropyl-2-fluorobenzenecarboximidamide?
The IUPAC name of N-amino-4-chloro-N'-cyclopropyl-2-fluorobenzenecarboximidamide (CID 61361298) is N-amino-4-chloro-N'-cyclopropyl-2-fluorobenzenecarboximidamide.
What is the SMILES notation for N-amino-4-chloro-N'-cyclopropyl-2-fluorobenzenecarboximidamide?
The canonical SMILES for N-amino-4-chloro-N'-cyclopropyl-2-fluorobenzenecarboximidamide is NN/C(=N\C1CC1)c1ccc(Cl)cc1F.
What is the InChIKey of N-amino-4-chloro-N'-cyclopropyl-2-fluorobenzenecarboximidamide?
The InChIKey is XCSOEUNJNHZQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3/c11-6-1-4-8(9(12)5-6)10(15-13)14-7-2-3-7/h1,4-5,7H,2-3,13H2,(H,14,15).
What are the key properties of N-amino-4-chloro-N'-cyclopropyl-2-fluorobenzenecarboximidamide?
N-amino-4-chloro-N'-cyclopropyl-2-fluorobenzenecarboximidamide has a molecular weight of 227.67 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-chloro-N'-cyclopropyl-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 61361298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).