1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone

C14H11ClFNO — CID 147059181

IUPAC1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
SMILESNc1ccc(Cl)c(C(=O)Cc2cccc(F)c2)c1
InChIInChI=1S/C14H11ClFNO/c15-13-5-4-11(17)8-12(13)14(18)7-9-2-1-3-10(16)6-9/h1-6,8H,7,17H2
InChIKeyBCVKTNCRTRJNMA-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.49
Rot. Bonds3

About 1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone

1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone (PubChem CID 147059181) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is 1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
PubChem CID147059181
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
SMILESNc1ccc(Cl)c(C(=O)Cc2cccc(F)c2)c1
InChIInChI=1S/C14H11ClFNO/c15-13-5-4-11(17)8-12(13)14(18)7-9-2-1-3-10(16)6-9/h1-6,8H,7,17H2
InChIKeyBCVKTNCRTRJNMA-UHFFFAOYSA-N
XLogP3.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.49
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

1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 147242545
1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone
CID 116609736
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 105398326
1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
CID 113403008
1-(2,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 62789590
2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 116577263
1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 116597538
1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one
CID 82117867
N-(2,6-dichlorophenyl)-2-(3-fluorophenyl)acetamide
CID 92647585
5-amino-2-[(3-fluorophenyl)methylamino]benzoic acid
CID 54887767

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone (CID 147059181) is 1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone is Nc1ccc(Cl)c(C(=O)Cc2cccc(F)c2)c1.
What is the InChIKey of 1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone?
The InChIKey is BCVKTNCRTRJNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c15-13-5-4-11(17)8-12(13)14(18)7-9-2-1-3-10(16)6-9/h1-6,8H,7,17H2.
What are the key properties of 1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone?
1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone has a molecular weight of 263.70 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 147059181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).