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

C12H13Br2NO2 — CID 103909392

IUPAC3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
SMILESCC1(NC(=O)c2cc(Br)cc(Br)c2)CCOC1
InChIInChI=1S/C12H13Br2NO2/c1-12(2-3-17-7-12)15-11(16)8-4-9(13)6-10(14)5-8/h4-6H,2-3,7H2,1H3,(H,15,16)
InChIKeyMPOIVUCPYLGMLS-UHFFFAOYSA-N
MW363.05 g/mol
LogP3.12
Rot. Bonds2

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

3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide (PubChem CID 103909392) has the molecular formula C12H13Br2NO2 and a molecular weight of 363.05 g/mol. Its IUPAC name is 3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
PubChem CID103909392
Molecular FormulaC12H13Br2NO2
Molecular Weight363.05 g/mol
Exact Mass360.93
IUPAC Name3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
SMILESCC1(NC(=O)c2cc(Br)cc(Br)c2)CCOC1
InChIInChI=1S/C12H13Br2NO2/c1-12(2-3-17-7-12)15-11(16)8-4-9(13)6-10(14)5-8/h4-6H,2-3,7H2,1H3,(H,15,16)
InChIKeyMPOIVUCPYLGMLS-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-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide
CID 115769193
3-amino-5-bromo-N-(3-methyloxan-3-yl)benzamide
CID 114113463
3-[(3,5-dibromobenzoyl)amino]oxolane-3-carboxylic acid
CID 107971497
4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide
CID 115769201
2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
CID 114372910
4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide
CID 113343145
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
4-bromo-N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 115769176
4-(diethylamino)-N-[(3S)-3-methyloxolan-3-yl]benzamide
CID 97329109
3-chloro-4-iodo-N-(3-methyloxolan-3-yl)benzamide
CID 103852243
3,4-dichloro-N-(3-methyloxolan-3-yl)-5-nitrobenzamide
CID 115769316
6-amino-5-chloro-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide
CID 113338583

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide?
The IUPAC name of 3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide (CID 103909392) is 3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide is CC1(NC(=O)c2cc(Br)cc(Br)c2)CCOC1.
What is the InChIKey of 3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide?
The InChIKey is MPOIVUCPYLGMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO2/c1-12(2-3-17-7-12)15-11(16)8-4-9(13)6-10(14)5-8/h4-6H,2-3,7H2,1H3,(H,15,16).
What are the key properties of 3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide?
3,5-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 3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 103909392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).