2-ethyl-N-(4-iodophenyl)butanamide

C12H16INO — CID 835344

IUPAC2-ethyl-N-(4-iodophenyl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H16INO/c1-3-9(4-2)12(15)14-11-7-5-10(13)6-8-11/h5-9H,3-4H2,1-2H3,(H,14,15)
InChIKeyXZKFJPBVYOMUGH-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.67
Rot. Bonds4

About 2-ethyl-N-(4-iodophenyl)butanamide

2-ethyl-N-(4-iodophenyl)butanamide (PubChem CID 835344) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is 2-ethyl-N-(4-iodophenyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(4-iodophenyl)butanamide
PubChem CID835344
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC Name2-ethyl-N-(4-iodophenyl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H16INO/c1-3-9(4-2)12(15)14-11-7-5-10(13)6-8-11/h5-9H,3-4H2,1-2H3,(H,14,15)
InChIKeyXZKFJPBVYOMUGH-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(4-iodophenyl)butanamide
CID 65225745
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
CID 47353320
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide
CID 17309176
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
2-(dimethylamino)-N-(4-iodophenyl)propanamide
CID 91154002
2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276
N-(4-carbamothioylphenyl)-2-ethylbutanamide
CID 24708427
2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide
CID 110481366
N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide
CID 82258769

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-iodophenyl)butanamide?
The IUPAC name of 2-ethyl-N-(4-iodophenyl)butanamide (CID 835344) is 2-ethyl-N-(4-iodophenyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(4-iodophenyl)butanamide?
The canonical SMILES for 2-ethyl-N-(4-iodophenyl)butanamide is CCC(CC)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 2-ethyl-N-(4-iodophenyl)butanamide?
The InChIKey is XZKFJPBVYOMUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO/c1-3-9(4-2)12(15)14-11-7-5-10(13)6-8-11/h5-9H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-N-(4-iodophenyl)butanamide?
2-ethyl-N-(4-iodophenyl)butanamide has a molecular weight of 317.17 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-iodophenyl)butanamide is sourced from PubChem (CID 835344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).