1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone

C14H10Cl2FNO — CID 147242545

IUPAC1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
SMILESNc1ccc(Cl)c(C(=O)Cc2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H10Cl2FNO/c15-12-4-3-10(18)7-11(12)14(19)5-8-1-2-9(17)6-13(8)16/h1-4,6-7H,5,18H2
InChIKeyCLBBFTRKQAEKSG-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.14
Rot. Bonds3

About 1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone

1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone (PubChem CID 147242545) has the molecular formula C14H10Cl2FNO and a molecular weight of 298.14 g/mol. Its IUPAC name is 1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
PubChem CID147242545
Molecular FormulaC14H10Cl2FNO
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
SMILESNc1ccc(Cl)c(C(=O)Cc2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H10Cl2FNO/c15-12-4-3-10(18)7-11(12)14(19)5-8-1-2-9(17)6-13(8)16/h1-4,6-7H,5,18H2
InChIKeyCLBBFTRKQAEKSG-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

1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
CID 147059181
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 107512602
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529
2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone
CID 114967277
5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide
CID 29079625
1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 63091479
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 102617677
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264
1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622133

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone?
The IUPAC name of 1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone (CID 147242545) is 1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone?
The canonical SMILES for 1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone is Nc1ccc(Cl)c(C(=O)Cc2ccc(F)cc2Cl)c1.
What is the InChIKey of 1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone?
The InChIKey is CLBBFTRKQAEKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO/c15-12-4-3-10(18)7-11(12)14(19)5-8-1-2-9(17)6-13(8)16/h1-4,6-7H,5,18H2.
What are the key properties of 1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone?
1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)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-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone is sourced from PubChem (CID 147242545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).