N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide

C11H14INO2 — CID 104981700

IUPACN-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide
SMILESCC[C@@H](CO)NC(=O)c1cccc(I)c1
InChIInChI=1S/C11H14INO2/c1-2-10(7-14)13-11(15)8-4-3-5-9(12)6-8/h3-6,10,14H,2,7H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyWXZPYZLZBCRSPJ-JTQLQIEISA-N
MW319.14 g/mol
LogP1.79
Rot. Bonds4

About N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide

N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide (PubChem CID 104981700) has the molecular formula C11H14INO2 and a molecular weight of 319.14 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide
PubChem CID104981700
Molecular FormulaC11H14INO2
Molecular Weight319.14 g/mol
Exact Mass319.01
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide
SMILESCC[C@@H](CO)NC(=O)c1cccc(I)c1
InChIInChI=1S/C11H14INO2/c1-2-10(7-14)13-11(15)8-4-3-5-9(12)6-8/h3-6,10,14H,2,7H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyWXZPYZLZBCRSPJ-JTQLQIEISA-N
XLogP1.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 40538169
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 786712
3-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 786711
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide
CID 107861091
N-(1-cyanopropyl)-3-iodobenzamide
CID 55137319
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
CID 93033627
3-iodo-N-pentan-2-ylbenzamide
CID 2886291
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
N-(1-chloropropan-2-yl)-3-iodobenzamide
CID 114299662
N-(1-aminopropan-2-yl)-3-iodobenzamide
CID 63733818
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 93081057

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide (CID 104981700) is N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide is CC[C@@H](CO)NC(=O)c1cccc(I)c1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide?
The InChIKey is WXZPYZLZBCRSPJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14INO2/c1-2-10(7-14)13-11(15)8-4-3-5-9(12)6-8/h3-6,10,14H,2,7H2,1H3,(H,13,15)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide?
N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide has a molecular weight of 319.14 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide is sourced from PubChem (CID 104981700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).