N-amino-2-chloro-N'-cyclopentyl-6-fluorobenzenecarboximidamide

C12H15ClFN3 — CID 61361926

IUPACN-amino-2-chloro-N'-cyclopentyl-6-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCC1)c1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFN3/c13-9-6-3-7-10(14)11(9)12(17-15)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5,15H2,(H,16,17)
InChIKeyXAICCIKIIACUCK-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.63
Rot. Bonds2

About N-amino-2-chloro-N'-cyclopentyl-6-fluorobenzenecarboximidamide

N-amino-2-chloro-N'-cyclopentyl-6-fluorobenzenecarboximidamide (PubChem CID 61361926) has the molecular formula C12H15ClFN3 and a molecular weight of 255.72 g/mol. Its IUPAC name is N-amino-2-chloro-N'-cyclopentyl-6-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2-chloro-N'-cyclopentyl-6-fluorobenzenecarboximidamide
PubChem CID61361926
Molecular FormulaC12H15ClFN3
Molecular Weight255.72 g/mol
Exact Mass255.09
IUPAC NameN-amino-2-chloro-N'-cyclopentyl-6-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCC1)c1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFN3/c13-9-6-3-7-10(14)11(9)12(17-15)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5,15H2,(H,16,17)
InChIKeyXAICCIKIIACUCK-UHFFFAOYSA-N
XLogP2.63
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.63
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-N'-cyclopentyl-6-fluorobenzenecarboximidamide?
The IUPAC name of N-amino-2-chloro-N'-cyclopentyl-6-fluorobenzenecarboximidamide (CID 61361926) is N-amino-2-chloro-N'-cyclopentyl-6-fluorobenzenecarboximidamide.
What is the SMILES notation for N-amino-2-chloro-N'-cyclopentyl-6-fluorobenzenecarboximidamide?
The canonical SMILES for N-amino-2-chloro-N'-cyclopentyl-6-fluorobenzenecarboximidamide is NN/C(=N\C1CCCC1)c1c(F)cccc1Cl.
What is the InChIKey of N-amino-2-chloro-N'-cyclopentyl-6-fluorobenzenecarboximidamide?
The InChIKey is XAICCIKIIACUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3/c13-9-6-3-7-10(14)11(9)12(17-15)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5,15H2,(H,16,17).
What are the key properties of N-amino-2-chloro-N'-cyclopentyl-6-fluorobenzenecarboximidamide?
N-amino-2-chloro-N'-cyclopentyl-6-fluorobenzenecarboximidamide has a molecular weight of 255.72 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-chloro-N'-cyclopentyl-6-fluorobenzenecarboximidamide is sourced from PubChem (CID 61361926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).