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

C10H9ClINO2 — CID 172647510

IUPAC4-chloro-3-iodo-N-(oxetan-3-yl)benzamide
SMILESO=C(NC1COC1)c1ccc(Cl)c(I)c1
InChIInChI=1S/C10H9ClINO2/c11-8-2-1-6(3-9(8)12)10(14)13-7-4-15-5-7/h1-3,7H,4-5H2,(H,13,14)
InChIKeyVXAQLPIDTYZDER-UHFFFAOYSA-N
MW337.54 g/mol
LogP2.07
Rot. Bonds2

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

4-chloro-3-iodo-N-(oxetan-3-yl)benzamide (PubChem CID 172647510) has the molecular formula C10H9ClINO2 and a molecular weight of 337.54 g/mol. Its IUPAC name is 4-chloro-3-iodo-N-(oxetan-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-iodo-N-(oxetan-3-yl)benzamide
PubChem CID172647510
Molecular FormulaC10H9ClINO2
Molecular Weight337.54 g/mol
Exact Mass336.94
IUPAC Name4-chloro-3-iodo-N-(oxetan-3-yl)benzamide
SMILESO=C(NC1COC1)c1ccc(Cl)c(I)c1
InChIInChI=1S/C10H9ClINO2/c11-8-2-1-6(3-9(8)12)10(14)13-7-4-15-5-7/h1-3,7H,4-5H2,(H,13,14)
InChIKeyVXAQLPIDTYZDER-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 52.07
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-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide
CID 47478589
4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715003
4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557633
4-chloro-3-iodobenzoyl chloride
CID 57349940
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514
3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 103209637
2-methyl-N-(oxetan-3-yl)pyridine-4-carboxamide
CID 106753340
4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63599170
4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide
CID 129113636
3,4-dichloro-N-(4-oxocyclohexyl)benzamide
CID 43652866
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-iodobenzamide
CID 55684888
4-[(3-amino-4-chlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66239735

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-N-(oxetan-3-yl)benzamide?
The IUPAC name of 4-chloro-3-iodo-N-(oxetan-3-yl)benzamide (CID 172647510) is 4-chloro-3-iodo-N-(oxetan-3-yl)benzamide.
What is the SMILES notation for 4-chloro-3-iodo-N-(oxetan-3-yl)benzamide?
The canonical SMILES for 4-chloro-3-iodo-N-(oxetan-3-yl)benzamide is O=C(NC1COC1)c1ccc(Cl)c(I)c1.
What is the InChIKey of 4-chloro-3-iodo-N-(oxetan-3-yl)benzamide?
The InChIKey is VXAQLPIDTYZDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClINO2/c11-8-2-1-6(3-9(8)12)10(14)13-7-4-15-5-7/h1-3,7H,4-5H2,(H,13,14).
What are the key properties of 4-chloro-3-iodo-N-(oxetan-3-yl)benzamide?
4-chloro-3-iodo-N-(oxetan-3-yl)benzamide has a molecular weight of 337.54 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-N-(oxetan-3-yl)benzamide is sourced from PubChem (CID 172647510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).