1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one

C10H11ClINO — CID 54283118

IUPAC1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one
SMILESNc1ccc(Cl)cc1C(=O)CCCI
InChIInChI=1S/C10H11ClINO/c11-7-3-4-9(13)8(6-7)10(14)2-1-5-12/h3-4,6H,1-2,5,13H2
InChIKeyRSEKUOZMGLXKEQ-UHFFFAOYSA-N
MW323.56 g/mol
LogP3.32
Rot. Bonds4

About 1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one

1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one (PubChem CID 54283118) has the molecular formula C10H11ClINO and a molecular weight of 323.56 g/mol. Its IUPAC name is 1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one
PubChem CID54283118
Molecular FormulaC10H11ClINO
Molecular Weight323.56 g/mol
Exact Mass322.96
IUPAC Name1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one
SMILESNc1ccc(Cl)cc1C(=O)CCCI
InChIInChI=1S/C10H11ClINO/c11-7-3-4-9(13)8(6-7)10(14)2-1-5-12/h3-4,6H,1-2,5,13H2
InChIKeyRSEKUOZMGLXKEQ-UHFFFAOYSA-N
XLogP3.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.56
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(2-amino-5-chlorophenyl)butan-1-one
CID 105466420
7-amino-1-(2,5-dichlorophenyl)heptan-1-one
CID 116551494
1-(2-bromo-5-chlorophenyl)pentan-1-one
CID 83988325
1-(5-chloro-2-fluorophenyl)pentan-1-one
CID 83988319
7-bromo-1-(5-chloro-2-hydroxyphenyl)heptan-1-one
CID 18931140
6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one
CID 18931145
S-methyl 2-amino-5-chlorobenzenecarbothioate
CID 134117277
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
1-(4-amino-3-pentanoylphenyl)pentan-1-one
CID 101270148
1-(5-chloro-2-fluorophenyl)octan-1-one
CID 114885192
4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one
CID 116553290
1-(2-amino-4-chlorophenyl)-4,4-dimethylpentan-1-one
CID 64915000

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one?
The IUPAC name of 1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one (CID 54283118) is 1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one.
What is the SMILES notation for 1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one?
The canonical SMILES for 1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one is Nc1ccc(Cl)cc1C(=O)CCCI.
What is the InChIKey of 1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one?
The InChIKey is RSEKUOZMGLXKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClINO/c11-7-3-4-9(13)8(6-7)10(14)2-1-5-12/h3-4,6H,1-2,5,13H2.
What are the key properties of 1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one?
1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one has a molecular weight of 323.56 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one is sourced from PubChem (CID 54283118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).