2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide

C15H15ClFN3 — CID 62497836

IUPAC2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(CC)c1ccccc1F
InChIInChI=1S/C15H15ClFN3/c1-2-20(12-8-4-3-7-11(12)17)13-9-5-6-10(16)14(13)15(18)19/h3-9H,2H2,1H3,(H3,18,19)
InChIKeySHCGXDQZLIUQOK-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.92
Rot. Bonds4

About 2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide

2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide (PubChem CID 62497836) has the molecular formula C15H15ClFN3 and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide
PubChem CID62497836
Molecular FormulaC15H15ClFN3
Molecular Weight291.76 g/mol
Exact Mass291.09
IUPAC Name2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(CC)c1ccccc1F
InChIInChI=1S/C15H15ClFN3/c1-2-20(12-8-4-3-7-11(12)17)13-9-5-6-10(16)14(13)15(18)19/h3-9H,2H2,1H3,(H3,18,19)
InChIKeySHCGXDQZLIUQOK-UHFFFAOYSA-N
XLogP3.92
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.92
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'}

Analyze 2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-(diethylamino)benzenecarboximidamide
CID 62502596
3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine
CID 104834416
2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide
CID 79519640
2-chloro-6-[2,2-dimethylpropyl(methyl)amino]benzenecarboximidamide
CID 55079559
2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 79387650
2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552204
2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide
CID 62496666
2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide
CID 62496817
2-chloro-6-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
CID 62497153
2-chloro-6-ethylsulfanylbenzenecarboximidamide
CID 62495699
2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82240764
2-[butyl(cyclopropyl)amino]-6-chlorobenzenecarboximidamide
CID 62496653

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide (CID 62497836) is 2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1N(CC)c1ccccc1F.
What is the InChIKey of 2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide?
The InChIKey is SHCGXDQZLIUQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3/c1-2-20(12-8-4-3-7-11(12)17)13-9-5-6-10(16)14(13)15(18)19/h3-9H,2H2,1H3,(H3,18,19).
What are the key properties of 2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide?
2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide has a molecular weight of 291.76 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide is sourced from PubChem (CID 62497836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).