2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone

C14H9Cl2FN2O — CID 123720309

IUPAC2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone
SMILES[H]/N=C(/C(=O)c1c(Cl)cccc1Cl)c1cccc(F)c1N
InChIInChI=1S/C14H9Cl2FN2O/c15-8-4-2-5-9(16)11(8)14(20)13(19)7-3-1-6-10(17)12(7)18/h1-6,19H,18H2/b19-13+
InChIKeyAPNITUXQPXSQIO-CPNJWEJPSA-N
MW311.14 g/mol
LogP3.97
Rot. Bonds3

About 2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone

2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone (PubChem CID 123720309) has the molecular formula C14H9Cl2FN2O and a molecular weight of 311.14 g/mol. Its IUPAC name is 2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone.

Molecular Properties

Compound Name2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone
PubChem CID123720309
Molecular FormulaC14H9Cl2FN2O
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone
SMILES[H]/N=C(/C(=O)c1c(Cl)cccc1Cl)c1cccc(F)c1N
InChIInChI=1S/C14H9Cl2FN2O/c15-8-4-2-5-9(16)11(8)14(20)13(19)7-3-1-6-10(17)12(7)18/h1-6,19H,18H2/b19-13+
InChIKeyAPNITUXQPXSQIO-CPNJWEJPSA-N
XLogP3.97
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone 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-ethanimidoyl-6-fluoroaniline
CID 143652831
(2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 116597564
(E)-2-(2-chloro-6-fluorobenzenecarboximidoyl)-3-hydroxybut-2-enoic acid
CID 135856556
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
2-fluoro-6-prop-2-enimidoylaniline
CID 176657806
1-(2-amino-3-fluorophenyl)but-3-yn-1-one
CID 116597523
(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 67505353
(2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone
CID 90087855
1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 116597538
2-amino-1-(2-chloro-6-fluorophenyl)ethanone
CID 65179390
2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride
CID 67803118
(2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 62650888

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone?
The IUPAC name of 2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone (CID 123720309) is 2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone.
What is the SMILES notation for 2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone?
The canonical SMILES for 2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone is [H]/N=C(/C(=O)c1c(Cl)cccc1Cl)c1cccc(F)c1N.
What is the InChIKey of 2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone?
The InChIKey is APNITUXQPXSQIO-CPNJWEJPSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O/c15-8-4-2-5-9(16)11(8)14(20)13(19)7-3-1-6-10(17)12(7)18/h1-6,19H,18H2/b19-13+.
What are the key properties of 2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone?
2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone has a molecular weight of 311.14 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone is sourced from PubChem (CID 123720309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).