1-(5-amino-4-chloro-2-iodophenyl)ethanone

C8H7ClINO — CID 131577542

IUPAC1-(5-amino-4-chloro-2-iodophenyl)ethanone
SMILESCC(=O)c1cc(N)c(Cl)cc1I
InChIInChI=1S/C8H7ClINO/c1-4(12)5-2-8(11)6(9)3-7(5)10/h2-3H,11H2,1H3
InChIKeyLAFFFIFKXPCZDR-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.73
Rot. Bonds1

About 1-(5-amino-4-chloro-2-iodophenyl)ethanone

1-(5-amino-4-chloro-2-iodophenyl)ethanone (PubChem CID 131577542) has the molecular formula C8H7ClINO and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-(5-amino-4-chloro-2-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-4-chloro-2-iodophenyl)ethanone
PubChem CID131577542
Molecular FormulaC8H7ClINO
Molecular Weight295.51 g/mol
Exact Mass294.93
IUPAC Name1-(5-amino-4-chloro-2-iodophenyl)ethanone
SMILESCC(=O)c1cc(N)c(Cl)cc1I
InChIInChI=1S/C8H7ClINO/c1-4(12)5-2-8(11)6(9)3-7(5)10/h2-3H,11H2,1H3
InChIKeyLAFFFIFKXPCZDR-UHFFFAOYSA-N
XLogP2.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride
CID 71393549
1-(5-amino-4-chloro-2-fluorophenyl)ethanone
CID 131597067
1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone
CID 171008729
4-acetyl-2-chloro-5-iodobenzonitrile
CID 171009959
1-(5-amino-2-chloro-4-ethylphenyl)ethanone
CID 131312926
1-(2,4,5-triaminophenyl)ethanone
CID 163413679
1-(2-amino-5-iodo-4-methylphenyl)ethanone
CID 131596572
1-[5-chloro-2-iodo-4-(trifluoromethoxy)phenyl]ethanone
CID 171009086
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
1-(3,5-dichloro-2-iodophenyl)ethanone
CID 171006627
1-(3-chloro-2-iodo-5-methylphenyl)ethanone
CID 171003947
1-[4,5-diamino-2-(methylideneamino)phenyl]ethanone
CID 163440212

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-chloro-2-iodophenyl)ethanone?
The IUPAC name of 1-(5-amino-4-chloro-2-iodophenyl)ethanone (CID 131577542) is 1-(5-amino-4-chloro-2-iodophenyl)ethanone.
What is the SMILES notation for 1-(5-amino-4-chloro-2-iodophenyl)ethanone?
The canonical SMILES for 1-(5-amino-4-chloro-2-iodophenyl)ethanone is CC(=O)c1cc(N)c(Cl)cc1I.
What is the InChIKey of 1-(5-amino-4-chloro-2-iodophenyl)ethanone?
The InChIKey is LAFFFIFKXPCZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClINO/c1-4(12)5-2-8(11)6(9)3-7(5)10/h2-3H,11H2,1H3.
What are the key properties of 1-(5-amino-4-chloro-2-iodophenyl)ethanone?
1-(5-amino-4-chloro-2-iodophenyl)ethanone has a molecular weight of 295.51 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-chloro-2-iodophenyl)ethanone is sourced from PubChem (CID 131577542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).