3,5-dibromo-N-(2-methylpropoxy)benzamide

C11H13Br2NO2 — CID 103908515

IUPAC3,5-dibromo-N-(2-methylpropoxy)benzamide
SMILESCC(C)CONC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H13Br2NO2/c1-7(2)6-16-14-11(15)8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyFKHPMPWMJKWFAZ-UHFFFAOYSA-N
MW351.04 g/mol
LogP3.53
Rot. Bonds4

About 3,5-dibromo-N-(2-methylpropoxy)benzamide

3,5-dibromo-N-(2-methylpropoxy)benzamide (PubChem CID 103908515) has the molecular formula C11H13Br2NO2 and a molecular weight of 351.04 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-methylpropoxy)benzamide
PubChem CID103908515
Molecular FormulaC11H13Br2NO2
Molecular Weight351.04 g/mol
Exact Mass348.93
IUPAC Name3,5-dibromo-N-(2-methylpropoxy)benzamide
SMILESCC(C)CONC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H13Br2NO2/c1-7(2)6-16-14-11(15)8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyFKHPMPWMJKWFAZ-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide
CID 115409989
3-bromo-N-(2-methylpropoxy)-5-nitrobenzamide
CID 115409904
4-bromo-N-(2-methylpropoxy)benzamide
CID 115410038
3,4-dichloro-N-(2-methylpropoxy)benzamide
CID 115409805
4-(aminomethyl)-N-(2-methylpropoxy)benzamide
CID 82721691
4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide
CID 115409622
4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide
CID 103956177
3-chloro-N-(2-methylpropoxy)-5-nitrobenzamide
CID 113304415
N-(2-methylpropoxy)quinoxaline-6-carboxamide
CID 113304462
N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide
CID 115409893
5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide
CID 115409767
3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide
CID 113304412

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-methylpropoxy)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-methylpropoxy)benzamide (CID 103908515) is 3,5-dibromo-N-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-methylpropoxy)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-methylpropoxy)benzamide is CC(C)CONC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-methylpropoxy)benzamide?
The InChIKey is FKHPMPWMJKWFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO2/c1-7(2)6-16-14-11(15)8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 3,5-dibromo-N-(2-methylpropoxy)benzamide?
3,5-dibromo-N-(2-methylpropoxy)benzamide has a molecular weight of 351.04 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-methylpropoxy)benzamide is sourced from PubChem (CID 103908515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).