N'-(3-chloro-2-fluorophenyl)benzenecarboximidamide

C13H10ClFN2 — CID 63178462

IUPACN'-(3-chloro-2-fluorophenyl)benzenecarboximidamide
SMILESN/C(=N\c1cccc(Cl)c1F)c1ccccc1
InChIInChI=1S/C13H10ClFN2/c14-10-7-4-8-11(12(10)15)17-13(16)9-5-2-1-3-6-9/h1-8H,(H2,16,17)
InChIKeyGCUFWRGWEBTVDL-UHFFFAOYSA-N
MW248.69 g/mol
LogP3.52
Rot. Bonds2

About N'-(3-chloro-2-fluorophenyl)benzenecarboximidamide

N'-(3-chloro-2-fluorophenyl)benzenecarboximidamide (PubChem CID 63178462) has the molecular formula C13H10ClFN2 and a molecular weight of 248.69 g/mol. Its IUPAC name is N'-(3-chloro-2-fluorophenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(3-chloro-2-fluorophenyl)benzenecarboximidamide
PubChem CID63178462
Molecular FormulaC13H10ClFN2
Molecular Weight248.69 g/mol
Exact Mass248.05
IUPAC NameN'-(3-chloro-2-fluorophenyl)benzenecarboximidamide
SMILESN/C(=N\c1cccc(Cl)c1F)c1ccccc1
InChIInChI=1S/C13H10ClFN2/c14-10-7-4-8-11(12(10)15)17-13(16)9-5-2-1-3-6-9/h1-8H,(H2,16,17)
InChIKeyGCUFWRGWEBTVDL-UHFFFAOYSA-N
XLogP3.52
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3-difluorophenyl)benzenecarboximidamide
CID 63176604
N'-(3-chloro-2-fluorophenyl)cyclopropanecarboximidamide
CID 63178409
4-amino-N'-(3-chloro-2-fluorophenyl)-1,2,5-oxadiazole-3-carboximidamide
CID 70642450
N'-(4-chloro-2-fluorophenyl)benzenecarboximidamide
CID 63177544
N'-(2,5-dichlorophenyl)benzenecarboximidamide
CID 4119968
N'-(3,4,5-trifluorophenyl)benzenecarboximidamide
CID 55160149
N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide
CID 132564984
N'-(2-propan-2-ylphenyl)benzenecarboximidamide
CID 55160347
N'-(2-chloroanilino)benzenecarboximidamide
CID 134068294
N'-hydroxybenzenecarboximidamide
CID 142861747
N'-aminobenzenecarboximidamide
CID 5474957
N'-[2-(4-chlorophenyl)quinolin-4-yl]benzenecarboximidamide
CID 23251138

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-fluorophenyl)benzenecarboximidamide?
The IUPAC name of N'-(3-chloro-2-fluorophenyl)benzenecarboximidamide (CID 63178462) is N'-(3-chloro-2-fluorophenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(3-chloro-2-fluorophenyl)benzenecarboximidamide?
The canonical SMILES for N'-(3-chloro-2-fluorophenyl)benzenecarboximidamide is N/C(=N\c1cccc(Cl)c1F)c1ccccc1.
What is the InChIKey of N'-(3-chloro-2-fluorophenyl)benzenecarboximidamide?
The InChIKey is GCUFWRGWEBTVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2/c14-10-7-4-8-11(12(10)15)17-13(16)9-5-2-1-3-6-9/h1-8H,(H2,16,17).
What are the key properties of N'-(3-chloro-2-fluorophenyl)benzenecarboximidamide?
N'-(3-chloro-2-fluorophenyl)benzenecarboximidamide has a molecular weight of 248.69 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-fluorophenyl)benzenecarboximidamide is sourced from PubChem (CID 63178462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).