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

C14H9Cl2F2NO — CID 116609973

IUPAC1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone
SMILESNc1c(Cl)cc(C(=O)Cc2cccc(F)c2F)cc1Cl
InChIInChI=1S/C14H9Cl2F2NO/c15-9-4-8(5-10(16)14(9)19)12(20)6-7-2-1-3-11(17)13(7)18/h1-5H,6,19H2
InChIKeyDPMOPXIOTRAEFO-UHFFFAOYSA-N
MW316.13 g/mol
LogP4.28
Rot. Bonds3

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

1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone (PubChem CID 116609973) has the molecular formula C14H9Cl2F2NO and a molecular weight of 316.13 g/mol. Its IUPAC name is 1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone
PubChem CID116609973
Molecular FormulaC14H9Cl2F2NO
Molecular Weight316.13 g/mol
Exact Mass315.00
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone
SMILESNc1c(Cl)cc(C(=O)Cc2cccc(F)c2F)cc1Cl
InChIInChI=1S/C14H9Cl2F2NO/c15-9-4-8(5-10(16)14(9)19)12(20)6-7-2-1-3-11(17)13(7)18/h1-5H,6,19H2
InChIKeyDPMOPXIOTRAEFO-UHFFFAOYSA-N
XLogP4.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 63093654
1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052464
1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone
CID 116609736
1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 66425414
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82801937
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412077
2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 82802596
2-(2,3-difluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 62622276
1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone
CID 116577788
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 102857168
1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one
CID 63034230

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone?
The IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone (CID 116609973) is 1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone.
What is the SMILES notation for 1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone?
The canonical SMILES for 1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone is Nc1c(Cl)cc(C(=O)Cc2cccc(F)c2F)cc1Cl.
What is the InChIKey of 1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone?
The InChIKey is DPMOPXIOTRAEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2NO/c15-9-4-8(5-10(16)14(9)19)12(20)6-7-2-1-3-11(17)13(7)18/h1-5H,6,19H2.
What are the key properties of 1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone?
1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone has a molecular weight of 316.13 g/mol, XLogP of 4.28, 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-(2,3-difluorophenyl)ethanone is sourced from PubChem (CID 116609973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).