N'-amino-2-chloro-5-fluoro-4-methylbenzenecarboximidamide

C8H9ClFN3 — CID 116827863

IUPACN'-amino-2-chloro-5-fluoro-4-methylbenzenecarboximidamide
SMILESCc1cc(Cl)c(/C(N)=N/N)cc1F
InChIInChI=1S/C8H9ClFN3/c1-4-2-6(9)5(3-7(4)10)8(11)13-12/h2-3H,12H2,1H3,(H2,11,13)
InChIKeyCVPSCLKZJLDTCC-UHFFFAOYSA-N
MW201.63 g/mol
LogP1.37
Rot. Bonds1

About N'-amino-2-chloro-5-fluoro-4-methylbenzenecarboximidamide

N'-amino-2-chloro-5-fluoro-4-methylbenzenecarboximidamide (PubChem CID 116827863) has the molecular formula C8H9ClFN3 and a molecular weight of 201.63 g/mol. Its IUPAC name is N'-amino-2-chloro-5-fluoro-4-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-2-chloro-5-fluoro-4-methylbenzenecarboximidamide
PubChem CID116827863
Molecular FormulaC8H9ClFN3
Molecular Weight201.63 g/mol
Exact Mass201.05
IUPAC NameN'-amino-2-chloro-5-fluoro-4-methylbenzenecarboximidamide
SMILESCc1cc(Cl)c(/C(N)=N/N)cc1F
InChIInChI=1S/C8H9ClFN3/c1-4-2-6(9)5(3-7(4)10)8(11)13-12/h2-3H,12H2,1H3,(H2,11,13)
InChIKeyCVPSCLKZJLDTCC-UHFFFAOYSA-N
XLogP1.37
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 51.37
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-5-fluoro-4-methylbenzenecarboximidamide?
The IUPAC name of N'-amino-2-chloro-5-fluoro-4-methylbenzenecarboximidamide (CID 116827863) is N'-amino-2-chloro-5-fluoro-4-methylbenzenecarboximidamide.
What is the SMILES notation for N'-amino-2-chloro-5-fluoro-4-methylbenzenecarboximidamide?
The canonical SMILES for N'-amino-2-chloro-5-fluoro-4-methylbenzenecarboximidamide is Cc1cc(Cl)c(/C(N)=N/N)cc1F.
What is the InChIKey of N'-amino-2-chloro-5-fluoro-4-methylbenzenecarboximidamide?
The InChIKey is CVPSCLKZJLDTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3/c1-4-2-6(9)5(3-7(4)10)8(11)13-12/h2-3H,12H2,1H3,(H2,11,13).
What are the key properties of N'-amino-2-chloro-5-fluoro-4-methylbenzenecarboximidamide?
N'-amino-2-chloro-5-fluoro-4-methylbenzenecarboximidamide has a molecular weight of 201.63 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-chloro-5-fluoro-4-methylbenzenecarboximidamide is sourced from PubChem (CID 116827863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).