2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide

C14H21BrN2O2 — CID 79713860

IUPAC2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCC(C)COCCCNC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C14H21BrN2O2/c1-10(2)9-19-7-3-6-17-14(18)12-5-4-11(15)8-13(12)16/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyIELCXZBVBBFOJF-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.82
Rot. Bonds7

About 2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide

2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide (PubChem CID 79713860) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide
PubChem CID79713860
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCC(C)COCCCNC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C14H21BrN2O2/c1-10(2)9-19-7-3-6-17-14(18)12-5-4-11(15)8-13(12)16/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyIELCXZBVBBFOJF-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 43363356
2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533216
2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 78849698
2,4-dibromo-N-(3-ethoxypropyl)benzamide
CID 103882188
4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 103863566
2,4-dibromo-N-(3-propoxypropyl)benzamide
CID 114020100
2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide
CID 103940009
2-methylpropyl 2-amino-4-bromobenzoate
CID 61277458
2-amino-4-bromo-N-(2-but-3-enoxyethyl)benzamide
CID 102978755
2-amino-4-bromo-N-(3-phenylpropyl)benzamide
CID 79720097
4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 113338751

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide?
The IUPAC name of 2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide (CID 79713860) is 2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide?
The canonical SMILES for 2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide is CC(C)COCCCNC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide?
The InChIKey is IELCXZBVBBFOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-10(2)9-19-7-3-6-17-14(18)12-5-4-11(15)8-13(12)16/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide?
2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide has a molecular weight of 329.24 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide is sourced from PubChem (CID 79713860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).