4-bromo-3-chloro-N-(oxan-3-yl)benzamide

C12H13BrClNO2 — CID 81004514

IUPAC4-bromo-3-chloro-N-(oxan-3-yl)benzamide
SMILESO=C(NC1CCCOC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H13BrClNO2/c13-10-4-3-8(6-11(10)14)12(16)15-9-2-1-5-17-7-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)
InChIKeyJZHMMDLADXDOAP-UHFFFAOYSA-N
MW318.60 g/mol
LogP3.01
Rot. Bonds2

About 4-bromo-3-chloro-N-(oxan-3-yl)benzamide

4-bromo-3-chloro-N-(oxan-3-yl)benzamide (PubChem CID 81004514) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(oxan-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(oxan-3-yl)benzamide
PubChem CID81004514
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC Name4-bromo-3-chloro-N-(oxan-3-yl)benzamide
SMILESO=C(NC1CCCOC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H13BrClNO2/c13-10-4-3-8(6-11(10)14)12(16)15-9-2-1-5-17-7-9/h3-4,6,9H,1-2,5,7H2,(H,15,16)
InChIKeyJZHMMDLADXDOAP-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-cyclohexylbenzamide
CID 81295345
4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63599170
4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide
CID 115703314
4-bromo-3-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 80998387
4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
CID 81308376
4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
CID 63362160
3,5-dihydroxy-N-(oxan-3-yl)benzamide
CID 103941335
1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide
CID 113232784
4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63613936
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 107853184
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715003

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(oxan-3-yl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(oxan-3-yl)benzamide (CID 81004514) is 4-bromo-3-chloro-N-(oxan-3-yl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(oxan-3-yl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(oxan-3-yl)benzamide is O=C(NC1CCCOC1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(oxan-3-yl)benzamide?
The InChIKey is JZHMMDLADXDOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c13-10-4-3-8(6-11(10)14)12(16)15-9-2-1-5-17-7-9/h3-4,6,9H,1-2,5,7H2,(H,15,16).
What are the key properties of 4-bromo-3-chloro-N-(oxan-3-yl)benzamide?
4-bromo-3-chloro-N-(oxan-3-yl)benzamide has a molecular weight of 318.60 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(oxan-3-yl)benzamide is sourced from PubChem (CID 81004514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).