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

C12H15ClFN3 — CID 61361109

IUPACN-amino-2-chloro-N'-cyclopentyl-4-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C12H15ClFN3/c13-11-7-8(14)5-6-10(11)12(17-15)16-9-3-1-2-4-9/h5-7,9H,1-4,15H2,(H,16,17)
InChIKeyHBOPJFVPUJXNHO-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.63
Rot. Bonds2

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

N-amino-2-chloro-N'-cyclopentyl-4-fluorobenzenecarboximidamide (PubChem CID 61361109) has the molecular formula C12H15ClFN3 and a molecular weight of 255.72 g/mol. Its IUPAC name is N-amino-2-chloro-N'-cyclopentyl-4-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2-chloro-N'-cyclopentyl-4-fluorobenzenecarboximidamide
PubChem CID61361109
Molecular FormulaC12H15ClFN3
Molecular Weight255.72 g/mol
Exact Mass255.09
IUPAC NameN-amino-2-chloro-N'-cyclopentyl-4-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C12H15ClFN3/c13-11-7-8(14)5-6-10(11)12(17-15)16-9-3-1-2-4-9/h5-7,9H,1-4,15H2,(H,16,17)
InChIKeyHBOPJFVPUJXNHO-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-4-fluorobenzenecarboximidamide?
The IUPAC name of N-amino-2-chloro-N'-cyclopentyl-4-fluorobenzenecarboximidamide (CID 61361109) is N-amino-2-chloro-N'-cyclopentyl-4-fluorobenzenecarboximidamide.
What is the SMILES notation for N-amino-2-chloro-N'-cyclopentyl-4-fluorobenzenecarboximidamide?
The canonical SMILES for N-amino-2-chloro-N'-cyclopentyl-4-fluorobenzenecarboximidamide is NN/C(=N\C1CCCC1)c1ccc(F)cc1Cl.
What is the InChIKey of N-amino-2-chloro-N'-cyclopentyl-4-fluorobenzenecarboximidamide?
The InChIKey is HBOPJFVPUJXNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3/c13-11-7-8(14)5-6-10(11)12(17-15)16-9-3-1-2-4-9/h5-7,9H,1-4,15H2,(H,16,17).
What are the key properties of N-amino-2-chloro-N'-cyclopentyl-4-fluorobenzenecarboximidamide?
N-amino-2-chloro-N'-cyclopentyl-4-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-4-fluorobenzenecarboximidamide is sourced from PubChem (CID 61361109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).