4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C12H14INO2 — CID 875708

IUPAC4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(I)cc1
InChIInChI=1S/C12H14INO2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h3-6,11H,1-2,7-8H2,(H,14,15)/t11-/m1/s1
InChIKeyLUNHEQXIMPMTRD-LLVKDONJSA-N
MW331.15 g/mol
LogP2.20
Rot. Bonds3

About 4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 875708) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is 4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID875708
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC Name4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(I)cc1
InChIInChI=1S/C12H14INO2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h3-6,11H,1-2,7-8H2,(H,14,15)/t11-/m1/s1
InChIKeyLUNHEQXIMPMTRD-LLVKDONJSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 52.20
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

4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]boronic acid
CID 99773201
4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 2995704
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 18160219
N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 25343764
N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 40973251
4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide
CID 95153483
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 875708) is 4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1CCCO1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is LUNHEQXIMPMTRD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14INO2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h3-6,11H,1-2,7-8H2,(H,14,15)/t11-/m1/s1.
What are the key properties of 4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 331.15 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 875708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).