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

C8H7Cl2NO — CID 2303531

IUPAC2-amino-1-(3,4-dichlorophenyl)ethanone
SMILESNCC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2NO/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3H,4,11H2
InChIKeyJDUXXGSLDNSUNQ-UHFFFAOYSA-N
MW204.06 g/mol
LogP2.13
Rot. Bonds2

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

2-amino-1-(3,4-dichlorophenyl)ethanone (PubChem CID 2303531) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is 2-amino-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3,4-dichlorophenyl)ethanone
PubChem CID2303531
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name2-amino-1-(3,4-dichlorophenyl)ethanone
SMILESNCC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2NO/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3H,4,11H2
InChIKeyJDUXXGSLDNSUNQ-UHFFFAOYSA-N
XLogP2.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-amino-1-(3,4-dichlorophenyl)ethanone (CID 2303531) is 2-amino-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-amino-1-(3,4-dichlorophenyl)ethanone is NCC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-amino-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is JDUXXGSLDNSUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3H,4,11H2.
What are the key properties of 2-amino-1-(3,4-dichlorophenyl)ethanone?
2-amino-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 204.06 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 2303531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).