1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone

C14H9Cl3FNO — CID 103052464

IUPAC1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
SMILESNc1c(Cl)cc(C(=O)Cc2cc(Cl)ccc2F)cc1Cl
InChIInChI=1S/C14H9Cl3FNO/c15-9-1-2-12(18)7(3-9)6-13(20)8-4-10(16)14(19)11(17)5-8/h1-5H,6,19H2
InChIKeyPFLCAJICIXUNBM-UHFFFAOYSA-N
MW332.59 g/mol
LogP4.79
Rot. Bonds3

About 1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone

1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone (PubChem CID 103052464) has the molecular formula C14H9Cl3FNO and a molecular weight of 332.59 g/mol. Its IUPAC name is 1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
PubChem CID103052464
Molecular FormulaC14H9Cl3FNO
Molecular Weight332.59 g/mol
Exact Mass330.97
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
SMILESNc1c(Cl)cc(C(=O)Cc2cc(Cl)ccc2F)cc1Cl
InChIInChI=1S/C14H9Cl3FNO/c15-9-1-2-12(18)7(3-9)6-13(20)8-4-10(16)14(19)11(17)5-8/h1-5H,6,19H2
InChIKeyPFLCAJICIXUNBM-UHFFFAOYSA-N
XLogP4.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 54.79
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-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 116609973
1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052274
1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412077
1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052370
1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone
CID 116609736
2-(2,5-dichlorophenyl)-1-(4-fluorophenyl)ethanone
CID 65316679
1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103047928
2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 103052290
2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 55186206
2-(2,5-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 65317110
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone (CID 103052464) is 1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone is Nc1c(Cl)cc(C(=O)Cc2cc(Cl)ccc2F)cc1Cl.
What is the InChIKey of 1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone?
The InChIKey is PFLCAJICIXUNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3FNO/c15-9-1-2-12(18)7(3-9)6-13(20)8-4-10(16)14(19)11(17)5-8/h1-5H,6,19H2.
What are the key properties of 1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone?
1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone has a molecular weight of 332.59 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 103052464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).