2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide

C12H13Br2NO2 — CID 114372910

IUPAC2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
SMILESCC1(NC(=O)c2cc(Br)ccc2Br)CCOC1
InChIInChI=1S/C12H13Br2NO2/c1-12(4-5-17-7-12)15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyDKTLRNMLGKVORR-UHFFFAOYSA-N
MW363.05 g/mol
LogP3.12
Rot. Bonds2

About 2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide

2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide (PubChem CID 114372910) has the molecular formula C12H13Br2NO2 and a molecular weight of 363.05 g/mol. Its IUPAC name is 2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
PubChem CID114372910
Molecular FormulaC12H13Br2NO2
Molecular Weight363.05 g/mol
Exact Mass360.93
IUPAC Name2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
SMILESCC1(NC(=O)c2cc(Br)ccc2Br)CCOC1
InChIInChI=1S/C12H13Br2NO2/c1-12(4-5-17-7-12)15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyDKTLRNMLGKVORR-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

5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide
CID 115759553
3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
CID 103909392
2,5-dibromo-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 104920466
4-bromo-N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 115769176
2-bromo-4-fluoro-N-(3-methyloxan-3-yl)benzamide
CID 103899264
5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide
CID 115769193
5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769264
4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide
CID 115769201
2-chloro-5-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 106502165
1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 114368106
2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769256
2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 104929999

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide?
The IUPAC name of 2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide (CID 114372910) is 2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide is CC1(NC(=O)c2cc(Br)ccc2Br)CCOC1.
What is the InChIKey of 2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide?
The InChIKey is DKTLRNMLGKVORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO2/c1-12(4-5-17-7-12)15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide?
2,5-dibromo-N-(3-methyloxolan-3-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 2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 114372910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).