3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide

C12H13ClINO2 — CID 103872396

IUPAC3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H13ClINO2/c1-7-11(4-5-17-7)15-12(16)8-2-3-10(14)9(13)6-8/h2-3,6-7,11H,4-5H2,1H3,(H,15,16)
InChIKeyZEOGRMWKQFIUBR-UHFFFAOYSA-N
MW365.60 g/mol
LogP2.85
Rot. Bonds2

About 3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide

3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 103872396) has the molecular formula C12H13ClINO2 and a molecular weight of 365.60 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide
PubChem CID103872396
Molecular FormulaC12H13ClINO2
Molecular Weight365.60 g/mol
Exact Mass364.97
IUPAC Name3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H13ClINO2/c1-7-11(4-5-17-7)15-12(16)8-2-3-10(14)9(13)6-8/h2-3,6-7,11H,4-5H2,1H3,(H,15,16)
InChIKeyZEOGRMWKQFIUBR-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.60
LogP ≤ 52.85
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-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide
CID 103221060
3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 103855445
3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 103209748
4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 115868342
6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82726478
4-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82729229
3-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82728473
2-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 82728917
4-bromo-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 82729029
4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide
CID 82725520
3-chloro-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103735000
4-hydroxy-N-(2-methyloxolan-3-yl)-3-nitrobenzamide
CID 131961007

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide (CID 103872396) is 3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide is CC1OCCC1NC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is ZEOGRMWKQFIUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClINO2/c1-7-11(4-5-17-7)15-12(16)8-2-3-10(14)9(13)6-8/h2-3,6-7,11H,4-5H2,1H3,(H,15,16).
What are the key properties of 3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide?
3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 365.60 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 103872396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).