N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide

C12H13BrClNO2 — CID 81028663

IUPACN-(2-bromo-4-chlorophenyl)oxane-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Br)C1CCCOC1
InChIInChI=1S/C12H13BrClNO2/c13-10-6-9(14)3-4-11(10)15-12(16)8-2-1-5-17-7-8/h3-4,6,8H,1-2,5,7H2,(H,15,16)
InChIKeySOTUUUHPECESAY-UHFFFAOYSA-N
MW318.60 g/mol
LogP3.47
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide

N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide (PubChem CID 81028663) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)oxane-3-carboxamide
PubChem CID81028663
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC NameN-(2-bromo-4-chlorophenyl)oxane-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Br)C1CCCOC1
InChIInChI=1S/C12H13BrClNO2/c13-10-6-9(14)3-4-11(10)15-12(16)8-2-1-5-17-7-8/h3-4,6,8H,1-2,5,7H2,(H,15,16)
InChIKeySOTUUUHPECESAY-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide
CID 103753605
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705
N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
CID 103766842
N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64787080
N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
CID 81272636
N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
CID 81272184
N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 81027186
N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride
CID 119422429
N-(4-chloro-3-pyridinyl)oxane-3-carboxamide
CID 103745000
N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81028513
5-methyl-2-(oxane-3-carbonylamino)benzoic acid
CID 62761030
(3R)-N-(3-bromo-4-nitrophenyl)oxane-3-carboxamide
CID 97338451

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide (CID 81028663) is N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide is O=C(Nc1ccc(Cl)cc1Br)C1CCCOC1.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide?
The InChIKey is SOTUUUHPECESAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c13-10-6-9(14)3-4-11(10)15-12(16)8-2-1-5-17-7-8/h3-4,6,8H,1-2,5,7H2,(H,15,16).
What are the key properties of N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide?
N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide has a molecular weight of 318.60 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide is sourced from PubChem (CID 81028663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).