N'-[(Z)-aminomethylideneamino]-3-chloro-5-fluorobenzenecarboximidamide

C8H8ClFN4 — CID 146637918

IUPACN'-[(Z)-aminomethylideneamino]-3-chloro-5-fluorobenzenecarboximidamide
SMILESN/C=N\N=C(/N)c1cc(F)cc(Cl)c1
InChIInChI=1S/C8H8ClFN4/c9-6-1-5(2-7(10)3-6)8(12)14-13-4-11/h1-4H,(H2,11,13)(H2,12,14)
InChIKeyVPLHCUTTYUSQRT-UHFFFAOYSA-N
MW214.63 g/mol
LogP1.09
Rot. Bonds2

About N'-[(Z)-aminomethylideneamino]-3-chloro-5-fluorobenzenecarboximidamide

N'-[(Z)-aminomethylideneamino]-3-chloro-5-fluorobenzenecarboximidamide (PubChem CID 146637918) has the molecular formula C8H8ClFN4 and a molecular weight of 214.63 g/mol. Its IUPAC name is N'-[(Z)-aminomethylideneamino]-3-chloro-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-aminomethylideneamino]-3-chloro-5-fluorobenzenecarboximidamide
PubChem CID146637918
Molecular FormulaC8H8ClFN4
Molecular Weight214.63 g/mol
Exact Mass214.04
IUPAC NameN'-[(Z)-aminomethylideneamino]-3-chloro-5-fluorobenzenecarboximidamide
SMILESN/C=N\N=C(/N)c1cc(F)cc(Cl)c1
InChIInChI=1S/C8H8ClFN4/c9-6-1-5(2-7(10)3-6)8(12)14-13-4-11/h1-4H,(H2,11,13)(H2,12,14)
InChIKeyVPLHCUTTYUSQRT-UHFFFAOYSA-N
XLogP1.09
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'-[(Z)-aminomethylideneamino]-3-chloro-5-fluorobenzenecarboximidamide?
The IUPAC name of N'-[(Z)-aminomethylideneamino]-3-chloro-5-fluorobenzenecarboximidamide (CID 146637918) is N'-[(Z)-aminomethylideneamino]-3-chloro-5-fluorobenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-aminomethylideneamino]-3-chloro-5-fluorobenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-aminomethylideneamino]-3-chloro-5-fluorobenzenecarboximidamide is N/C=N\N=C(/N)c1cc(F)cc(Cl)c1.
What is the InChIKey of N'-[(Z)-aminomethylideneamino]-3-chloro-5-fluorobenzenecarboximidamide?
The InChIKey is VPLHCUTTYUSQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN4/c9-6-1-5(2-7(10)3-6)8(12)14-13-4-11/h1-4H,(H2,11,13)(H2,12,14).
What are the key properties of N'-[(Z)-aminomethylideneamino]-3-chloro-5-fluorobenzenecarboximidamide?
N'-[(Z)-aminomethylideneamino]-3-chloro-5-fluorobenzenecarboximidamide has a molecular weight of 214.63 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-aminomethylideneamino]-3-chloro-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 146637918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).