2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone

C14H11Cl2NO — CID 116577263

IUPAC2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone
SMILESNc1cccc(CC(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl2NO/c15-12-5-4-10(8-13(12)16)14(18)7-9-2-1-3-11(17)6-9/h1-6,8H,7,17H2
InChIKeyHXGAWJAEOQZEMW-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.00
Rot. Bonds3

About 2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone

2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone (PubChem CID 116577263) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone
PubChem CID116577263
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone
SMILESNc1cccc(CC(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl2NO/c15-12-5-4-10(8-13(12)16)14(18)7-9-2-1-3-11(17)6-9/h1-6,8H,7,17H2
InChIKeyHXGAWJAEOQZEMW-UHFFFAOYSA-N
XLogP4.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.00
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

2-(3-aminophenyl)-1-(4-methylphenyl)ethanone
CID 116577086
2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491660
2-(3-aminophenyl)-1-(3-methylphenyl)ethanone
CID 116577163
1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 103214014
3-(3-aminophenyl)-1-(4-chloro-3-methoxyphenyl)propan-1-one
CID 116603445
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918
1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116581836
2-(3,4-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490584
1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone
CID 116609736
1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethanone
CID 63528907
2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114520628

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone (CID 116577263) is 2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone is Nc1cccc(CC(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is HXGAWJAEOQZEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c15-12-5-4-10(8-13(12)16)14(18)7-9-2-1-3-11(17)6-9/h1-6,8H,7,17H2.
What are the key properties of 2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone?
2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 280.15 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 116577263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).