2-iodo-N-(2-methyloxolan-3-yl)benzamide

C12H14INO2 — CID 82728917

IUPAC2-iodo-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1ccccc1I
InChIInChI=1S/C12H14INO2/c1-8-11(6-7-16-8)14-12(15)9-4-2-3-5-10(9)13/h2-5,8,11H,6-7H2,1H3,(H,14,15)
InChIKeyOQJPXJIYEWSSHZ-UHFFFAOYSA-N
MW331.15 g/mol
LogP2.20
Rot. Bonds2

About 2-iodo-N-(2-methyloxolan-3-yl)benzamide

2-iodo-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 82728917) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is 2-iodo-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(2-methyloxolan-3-yl)benzamide
PubChem CID82728917
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC Name2-iodo-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1ccccc1I
InChIInChI=1S/C12H14INO2/c1-8-11(6-7-16-8)14-12(15)9-4-2-3-5-10(9)13/h2-5,8,11H,6-7H2,1H3,(H,14,15)
InChIKeyOQJPXJIYEWSSHZ-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82829597
3-hydroxy-N-(2-methyloxolan-3-yl)naphthalene-2-carboxamide
CID 82728809
N-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide
CID 97333881
2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813949
2-iodo-N-(oxan-4-yl)benzamide
CID 61063086
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
2-chloro-N-(2-methyloxolan-3-yl)furan-3-carboxamide
CID 106687114
3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 103872396
2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
CID 103883477
2-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82737205
2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide
CID 82725051

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 2-iodo-N-(2-methyloxolan-3-yl)benzamide (CID 82728917) is 2-iodo-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 2-iodo-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 2-iodo-N-(2-methyloxolan-3-yl)benzamide is CC1OCCC1NC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is OQJPXJIYEWSSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c1-8-11(6-7-16-8)14-12(15)9-4-2-3-5-10(9)13/h2-5,8,11H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-iodo-N-(2-methyloxolan-3-yl)benzamide?
2-iodo-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 331.15 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 82728917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).