1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone

C14H10Cl2FNO — CID 116597538

IUPAC1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone
SMILESNc1c(F)cccc1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2FNO/c15-10-5-4-8(6-11(10)16)7-13(19)9-2-1-3-12(17)14(9)18/h1-6H,7,18H2
InChIKeyIIUYZHLMVCDRME-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.14
Rot. Bonds3

About 1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone

1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone (PubChem CID 116597538) has the molecular formula C14H10Cl2FNO and a molecular weight of 298.14 g/mol. Its IUPAC name is 1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone
PubChem CID116597538
Molecular FormulaC14H10Cl2FNO
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone
SMILESNc1c(F)cccc1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2FNO/c15-10-5-4-8(6-11(10)16)7-13(19)9-2-1-3-12(17)14(9)18/h1-6H,7,18H2
InChIKeyIIUYZHLMVCDRME-UHFFFAOYSA-N
XLogP4.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 107890555
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone
CID 114012654
1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116597713
1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
CID 147059181
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 63409531
1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 116591699
1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 114029892
2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone
CID 114026090
N-(2-aminophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045267
N-(5-amino-2,4-difluorophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 62056351
1-(2-amino-3-fluorophenyl)but-3-yn-1-one
CID 116597523
2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 82814391

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone (CID 116597538) is 1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone is Nc1c(F)cccc1C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone?
The InChIKey is IIUYZHLMVCDRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO/c15-10-5-4-8(6-11(10)16)7-13(19)9-2-1-3-12(17)14(9)18/h1-6H,7,18H2.
What are the key properties of 1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone?
1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone has a molecular weight of 298.14 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 116597538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).