2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide

C14H18INO2 — CID 113241559

IUPAC2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NC(C)C2CCOC2)c1I
InChIInChI=1S/C14H18INO2/c1-9-4-3-5-12(13(9)15)14(17)16-10(2)11-6-7-18-8-11/h3-5,10-11H,6-8H2,1-2H3,(H,16,17)
InChIKeyVTXQQAYFXHPTDO-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.75
Rot. Bonds3

About 2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide

2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide (PubChem CID 113241559) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide
PubChem CID113241559
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Name2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NC(C)C2CCOC2)c1I
InChIInChI=1S/C14H18INO2/c1-9-4-3-5-12(13(9)15)14(17)16-10(2)11-6-7-18-8-11/h3-5,10-11H,6-8H2,1-2H3,(H,16,17)
InChIKeyVTXQQAYFXHPTDO-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.75
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

2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103769325
3-bromo-2-chloro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 103990950
2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 103806068
3-[[(1R)-1-[(3R)-oxolan-3-yl]ethyl]carbamoyl]benzoic acid
CID 124595766
2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]acetic acid
CID 113263253
4-[1-(oxolan-3-yl)ethylcarbamoyl]benzoic acid
CID 113263166
3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113366833
2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 99614822
2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 106502198
5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241572
5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide
CID 115648944
2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid
CID 114217885

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide?
The IUPAC name of 2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide (CID 113241559) is 2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide is Cc1cccc(C(=O)NC(C)C2CCOC2)c1I.
What is the InChIKey of 2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide?
The InChIKey is VTXQQAYFXHPTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c1-9-4-3-5-12(13(9)15)14(17)16-10(2)11-6-7-18-8-11/h3-5,10-11H,6-8H2,1-2H3,(H,16,17).
What are the key properties of 2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide?
2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide has a molecular weight of 359.21 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide is sourced from PubChem (CID 113241559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).