4-(2-iodoanilino)butan-2-one

C10H12INO — CID 71353813

IUPAC4-(2-iodoanilino)butan-2-one
SMILESCC(=O)CCNc1ccccc1I
InChIInChI=1S/C10H12INO/c1-8(13)6-7-12-10-5-3-2-4-9(10)11/h2-5,12H,6-7H2,1H3
InChIKeyXLAWOSBVBKCYKX-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.68
Rot. Bonds4

About 4-(2-iodoanilino)butan-2-one

4-(2-iodoanilino)butan-2-one (PubChem CID 71353813) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is 4-(2-iodoanilino)butan-2-one.

Molecular Properties

Compound Name4-(2-iodoanilino)butan-2-one
PubChem CID71353813
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC Name4-(2-iodoanilino)butan-2-one
SMILESCC(=O)CCNc1ccccc1I
InChIInChI=1S/C10H12INO/c1-8(13)6-7-12-10-5-3-2-4-9(10)11/h2-5,12H,6-7H2,1H3
InChIKeyXLAWOSBVBKCYKX-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-iodoanilino)propanoate
CID 43174220
4-(2-iodoanilino)-N-methylbutanamide
CID 63891619
2-(2-iodoanilino)ethanol
CID 28978311
4-[2-(2-phenylethynyl)anilino]butan-2-one
CID 86040634
2-iodo-N-(2-methylsulfonylethyl)aniline
CID 60917001
methyl (E)-4-(2-iodoanilino)-2-methylbut-2-enoate
CID 103236996
3-(2-iodoanilino)propanenitrile
CID 43082717
2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide
CID 37475095
N-(3-ethoxypropyl)-2-iodoaniline
CID 65175161
3-amino-N-(2-iodophenyl)-3-methylbutanamide
CID 64684765
2-acetamido-N-(2-iodophenyl)acetamide
CID 60635742
benzyl 3-(2-iodoanilino)-2-methylpropanoate
CID 106483912

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodoanilino)butan-2-one?
The IUPAC name of 4-(2-iodoanilino)butan-2-one (CID 71353813) is 4-(2-iodoanilino)butan-2-one.
What is the SMILES notation for 4-(2-iodoanilino)butan-2-one?
The canonical SMILES for 4-(2-iodoanilino)butan-2-one is CC(=O)CCNc1ccccc1I.
What is the InChIKey of 4-(2-iodoanilino)butan-2-one?
The InChIKey is XLAWOSBVBKCYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO/c1-8(13)6-7-12-10-5-3-2-4-9(10)11/h2-5,12H,6-7H2,1H3.
What are the key properties of 4-(2-iodoanilino)butan-2-one?
4-(2-iodoanilino)butan-2-one has a molecular weight of 289.12 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodoanilino)butan-2-one is sourced from PubChem (CID 71353813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).