2,4-dibromo-N-(oxan-4-yl)benzamide

C12H13Br2NO2 — CID 103882568

IUPAC2,4-dibromo-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2NO2/c13-8-1-2-10(11(14)7-8)12(16)15-9-3-5-17-6-4-9/h1-2,7,9H,3-6H2,(H,15,16)
InChIKeyPJGPSVKFVUFFOK-UHFFFAOYSA-N
MW363.05 g/mol
LogP3.12
Rot. Bonds2

About 2,4-dibromo-N-(oxan-4-yl)benzamide

2,4-dibromo-N-(oxan-4-yl)benzamide (PubChem CID 103882568) has the molecular formula C12H13Br2NO2 and a molecular weight of 363.05 g/mol. Its IUPAC name is 2,4-dibromo-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(oxan-4-yl)benzamide
PubChem CID103882568
Molecular FormulaC12H13Br2NO2
Molecular Weight363.05 g/mol
Exact Mass360.93
IUPAC Name2,4-dibromo-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2NO2/c13-8-1-2-10(11(14)7-8)12(16)15-9-3-5-17-6-4-9/h1-2,7,9H,3-6H2,(H,15,16)
InChIKeyPJGPSVKFVUFFOK-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.05
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
CID 107941133
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
2,4-dibromo-N-(1-oxothian-4-yl)benzamide
CID 104580877
2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide
CID 107952478
2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide
CID 107939661
4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
CID 80713377
2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
CID 103883477
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide
CID 172674658
2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide
CID 103882624

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(oxan-4-yl)benzamide?
The IUPAC name of 2,4-dibromo-N-(oxan-4-yl)benzamide (CID 103882568) is 2,4-dibromo-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(oxan-4-yl)benzamide is O=C(NC1CCOCC1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(oxan-4-yl)benzamide?
The InChIKey is PJGPSVKFVUFFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO2/c13-8-1-2-10(11(14)7-8)12(16)15-9-3-5-17-6-4-9/h1-2,7,9H,3-6H2,(H,15,16).
What are the key properties of 2,4-dibromo-N-(oxan-4-yl)benzamide?
2,4-dibromo-N-(oxan-4-yl)benzamide has a molecular weight of 363.05 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 103882568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).