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

C12H13ClINO2 — CID 103852243

IUPAC3-chloro-4-iodo-N-(3-methyloxolan-3-yl)benzamide
SMILESCC1(NC(=O)c2ccc(I)c(Cl)c2)CCOC1
InChIInChI=1S/C12H13ClINO2/c1-12(4-5-17-7-12)15-11(16)8-2-3-10(14)9(13)6-8/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyNEKFXHCJHHOARJ-UHFFFAOYSA-N
MW365.60 g/mol
LogP2.85
Rot. Bonds2

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

3-chloro-4-iodo-N-(3-methyloxolan-3-yl)benzamide (PubChem CID 103852243) has the molecular formula C12H13ClINO2 and a molecular weight of 365.60 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-(3-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-(3-methyloxolan-3-yl)benzamide
PubChem CID103852243
Molecular FormulaC12H13ClINO2
Molecular Weight365.60 g/mol
Exact Mass364.97
IUPAC Name3-chloro-4-iodo-N-(3-methyloxolan-3-yl)benzamide
SMILESCC1(NC(=O)c2ccc(I)c(Cl)c2)CCOC1
InChIInChI=1S/C12H13ClINO2/c1-12(4-5-17-7-12)15-11(16)8-2-3-10(14)9(13)6-8/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyNEKFXHCJHHOARJ-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-4-iodo-N-(1-methylcyclohexyl)benzamide
CID 103222033
4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide
CID 113343145
3-chloro-N-[4-(chloromethyl)oxan-4-yl]-4-iodobenzamide
CID 106300373
2-chloro-5-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 106502165
6-amino-5-chloro-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide
CID 113338583
3,4-dichloro-N-(3-methyloxolan-3-yl)-5-nitrobenzamide
CID 115769316
4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide
CID 97329109
5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769264
4-bromo-N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 115769176
3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
CID 103909392
4-[(3-methyloxan-3-yl)carbamoyl]benzoic acid
CID 114114464
4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide
CID 113482027

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-(3-methyloxolan-3-yl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-(3-methyloxolan-3-yl)benzamide (CID 103852243) is 3-chloro-4-iodo-N-(3-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-(3-methyloxolan-3-yl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-(3-methyloxolan-3-yl)benzamide is CC1(NC(=O)c2ccc(I)c(Cl)c2)CCOC1.
What is the InChIKey of 3-chloro-4-iodo-N-(3-methyloxolan-3-yl)benzamide?
The InChIKey is NEKFXHCJHHOARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClINO2/c1-12(4-5-17-7-12)15-11(16)8-2-3-10(14)9(13)6-8/h2-3,6H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 3-chloro-4-iodo-N-(3-methyloxolan-3-yl)benzamide?
3-chloro-4-iodo-N-(3-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-(3-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 103852243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).