N'-[(4-chlorophenyl)methyl]-2-fluoro-4-hydrazinylbenzenecarboximidamide

C14H14ClFN4 — CID 169205631

IUPACN'-[(4-chlorophenyl)methyl]-2-fluoro-4-hydrazinylbenzenecarboximidamide
SMILESNNc1ccc(/C(N)=N/Cc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C14H14ClFN4/c15-10-3-1-9(2-4-10)8-19-14(17)12-6-5-11(20-18)7-13(12)16/h1-7,20H,8,18H2,(H2,17,19)
InChIKeyASLIHAJUAOTFSL-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.67
Rot. Bonds4

About N'-[(4-chlorophenyl)methyl]-2-fluoro-4-hydrazinylbenzenecarboximidamide

N'-[(4-chlorophenyl)methyl]-2-fluoro-4-hydrazinylbenzenecarboximidamide (PubChem CID 169205631) has the molecular formula C14H14ClFN4 and a molecular weight of 292.75 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-2-fluoro-4-hydrazinylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-2-fluoro-4-hydrazinylbenzenecarboximidamide
PubChem CID169205631
Molecular FormulaC14H14ClFN4
Molecular Weight292.75 g/mol
Exact Mass292.09
IUPAC NameN'-[(4-chlorophenyl)methyl]-2-fluoro-4-hydrazinylbenzenecarboximidamide
SMILESNNc1ccc(/C(N)=N/Cc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C14H14ClFN4/c15-10-3-1-9(2-4-10)8-19-14(17)12-6-5-11(20-18)7-13(12)16/h1-7,20H,8,18H2,(H2,17,19)
InChIKeyASLIHAJUAOTFSL-UHFFFAOYSA-N
XLogP2.67
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'-[(4-chlorophenyl)methyl]-2-fluoro-4-hydrazinylbenzenecarboximidamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-2-fluoro-4-hydrazinylbenzenecarboximidamide (CID 169205631) is N'-[(4-chlorophenyl)methyl]-2-fluoro-4-hydrazinylbenzenecarboximidamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-2-fluoro-4-hydrazinylbenzenecarboximidamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-2-fluoro-4-hydrazinylbenzenecarboximidamide is NNc1ccc(/C(N)=N/Cc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-2-fluoro-4-hydrazinylbenzenecarboximidamide?
The InChIKey is ASLIHAJUAOTFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4/c15-10-3-1-9(2-4-10)8-19-14(17)12-6-5-11(20-18)7-13(12)16/h1-7,20H,8,18H2,(H2,17,19).
What are the key properties of N'-[(4-chlorophenyl)methyl]-2-fluoro-4-hydrazinylbenzenecarboximidamide?
N'-[(4-chlorophenyl)methyl]-2-fluoro-4-hydrazinylbenzenecarboximidamide has a molecular weight of 292.75 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-2-fluoro-4-hydrazinylbenzenecarboximidamide is sourced from PubChem (CID 169205631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).