4-bromo-N-(2-methylpropoxy)benzamide

C11H14BrNO2 — CID 115410038

IUPAC4-bromo-N-(2-methylpropoxy)benzamide
SMILESCC(C)CONC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-8(2)7-15-13-11(14)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyZGOAPTJUULTOQS-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.77
Rot. Bonds4

About 4-bromo-N-(2-methylpropoxy)benzamide

4-bromo-N-(2-methylpropoxy)benzamide (PubChem CID 115410038) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 4-bromo-N-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-methylpropoxy)benzamide
PubChem CID115410038
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name4-bromo-N-(2-methylpropoxy)benzamide
SMILESCC(C)CONC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-8(2)7-15-13-11(14)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyZGOAPTJUULTOQS-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.77
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

3,5-dibromo-N-(2-methylpropoxy)benzamide
CID 103908515
4-(aminomethyl)-N-(2-methylpropoxy)benzamide
CID 82721691
4-bromo-N-(2-methoxyethoxy)benzamide
CID 79676789
3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide
CID 115409989
3,4-dichloro-N-(2-methylpropoxy)benzamide
CID 115409805
4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide
CID 103956177
4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide
CID 115409622
5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide
CID 115409767
3-bromo-N-(2-methylpropoxy)-5-nitrobenzamide
CID 115409904
N-(2-methylpropoxy)quinoxaline-6-carboxamide
CID 113304462
N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide
CID 115409893
3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide
CID 115409803

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methylpropoxy)benzamide?
The IUPAC name of 4-bromo-N-(2-methylpropoxy)benzamide (CID 115410038) is 4-bromo-N-(2-methylpropoxy)benzamide.
What is the SMILES notation for 4-bromo-N-(2-methylpropoxy)benzamide?
The canonical SMILES for 4-bromo-N-(2-methylpropoxy)benzamide is CC(C)CONC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-methylpropoxy)benzamide?
The InChIKey is ZGOAPTJUULTOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8(2)7-15-13-11(14)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of 4-bromo-N-(2-methylpropoxy)benzamide?
4-bromo-N-(2-methylpropoxy)benzamide has a molecular weight of 272.14 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methylpropoxy)benzamide is sourced from PubChem (CID 115410038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).