3-amino-4-bromo-N-(2-methylpropyl)benzamide

C11H15BrN2O — CID 39369897

IUPAC3-amino-4-bromo-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C11H15BrN2O/c1-7(2)6-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyPMQJTDVBRWHQTH-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.42
Rot. Bonds3

About 3-amino-4-bromo-N-(2-methylpropyl)benzamide

3-amino-4-bromo-N-(2-methylpropyl)benzamide (PubChem CID 39369897) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(2-methylpropyl)benzamide
PubChem CID39369897
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-amino-4-bromo-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C11H15BrN2O/c1-7(2)6-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyPMQJTDVBRWHQTH-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-bromo-N-(2-hydroxypropyl)benzamide
CID 61094213
3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211110
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
3-amino-4-bromo-N-(7-methyloctyl)benzamide
CID 107813039
3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide
CID 61140955
3-amino-4-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179269
4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107220998
4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide
CID 83143162
3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79352767
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
3-amino-4-bromo-N-[2-(methanesulfonamido)ethyl]benzamide
CID 61094438
3-amino-4-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61092685

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(2-methylpropyl)benzamide (CID 39369897) is 3-amino-4-bromo-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-(2-methylpropyl)benzamide?
The InChIKey is PMQJTDVBRWHQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-7(2)6-14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-4-bromo-N-(2-methylpropyl)benzamide?
3-amino-4-bromo-N-(2-methylpropyl)benzamide has a molecular weight of 271.16 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 39369897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).