3-iodo-N-pentan-2-ylbenzamide

C12H16INO — CID 2886291

IUPAC3-iodo-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cccc(I)c1
InChIInChI=1S/C12H16INO/c1-3-5-9(2)14-12(15)10-6-4-7-11(13)8-10/h4,6-9H,3,5H2,1-2H3,(H,14,15)
InChIKeyYUNCMOOGTXKTHY-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.21
Rot. Bonds4

About 3-iodo-N-pentan-2-ylbenzamide

3-iodo-N-pentan-2-ylbenzamide (PubChem CID 2886291) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is 3-iodo-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name3-iodo-N-pentan-2-ylbenzamide
PubChem CID2886291
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC Name3-iodo-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cccc(I)c1
InChIInChI=1S/C12H16INO/c1-3-5-9(2)14-12(15)10-6-4-7-11(13)8-10/h4,6-9H,3,5H2,1-2H3,(H,14,15)
InChIKeyYUNCMOOGTXKTHY-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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

N-(4-chlorobutan-2-yl)-3-iodobenzamide
CID 83187759
N-(1-chloropropan-2-yl)-3-iodobenzamide
CID 114299662
N-(1-aminopropan-2-yl)-3-iodobenzamide
CID 63733818
3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854865
3-(chloromethyl)-N-pentan-2-ylbenzamide
CID 43156329
N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide
CID 104981700
N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide
CID 54938221
3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 60722842
3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 54937836
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide
CID 130166251
N-(1-cyanopropyl)-3-iodobenzamide
CID 55137319
3-iodo-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100513830

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-pentan-2-ylbenzamide?
The IUPAC name of 3-iodo-N-pentan-2-ylbenzamide (CID 2886291) is 3-iodo-N-pentan-2-ylbenzamide.
What is the SMILES notation for 3-iodo-N-pentan-2-ylbenzamide?
The canonical SMILES for 3-iodo-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-pentan-2-ylbenzamide?
The InChIKey is YUNCMOOGTXKTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO/c1-3-5-9(2)14-12(15)10-6-4-7-11(13)8-10/h4,6-9H,3,5H2,1-2H3,(H,14,15).
What are the key properties of 3-iodo-N-pentan-2-ylbenzamide?
3-iodo-N-pentan-2-ylbenzamide has a molecular weight of 317.17 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-pentan-2-ylbenzamide is sourced from PubChem (CID 2886291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).