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

C14H10Cl2FNO — CID 116609736

IUPAC1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone
SMILESNc1c(Cl)cc(C(=O)Cc2cccc(F)c2)cc1Cl
InChIInChI=1S/C14H10Cl2FNO/c15-11-6-9(7-12(16)14(11)18)13(19)5-8-2-1-3-10(17)4-8/h1-4,6-7H,5,18H2
InChIKeyPATMELKPRXZLTH-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.14
Rot. Bonds3

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

1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone (PubChem CID 116609736) has the molecular formula C14H10Cl2FNO and a molecular weight of 298.14 g/mol. Its IUPAC name is 1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone
PubChem CID116609736
Molecular FormulaC14H10Cl2FNO
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone
SMILESNc1c(Cl)cc(C(=O)Cc2cccc(F)c2)cc1Cl
InChIInChI=1S/C14H10Cl2FNO/c15-11-6-9(7-12(16)14(11)18)13(19)5-8-2-1-3-10(17)4-8/h1-4,6-7H,5,18H2
InChIKeyPATMELKPRXZLTH-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-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412077
4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 82795367
1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
CID 147059181
1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 116609973
2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone
CID 155354849
1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052464
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 116577263
2-(3-fluorophenyl)-1-pyridin-3-ylethanone
CID 60797988
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 105398326
N-(2,6-dichlorophenyl)-2-(3-fluorophenyl)acetamide
CID 92647585

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone (CID 116609736) is 1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone is Nc1c(Cl)cc(C(=O)Cc2cccc(F)c2)cc1Cl.
What is the InChIKey of 1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone?
The InChIKey is PATMELKPRXZLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO/c15-11-6-9(7-12(16)14(11)18)13(19)5-8-2-1-3-10(17)4-8/h1-4,6-7H,5,18H2.
What are the key properties of 1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone?
1-(4-amino-3,5-dichlorophenyl)-2-(3-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-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 116609736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).