5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide

C13H19BrN2O — CID 64568794

IUPAC5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide
SMILESCC(C)C(C)CNC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C13H19BrN2O/c1-8(2)9(3)7-16-13(17)11-6-10(15)4-5-12(11)14/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeyWWRJBACUGXXRFB-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.05
Rot. Bonds4

About 5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide

5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide (PubChem CID 64568794) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide
PubChem CID64568794
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide
SMILESCC(C)C(C)CNC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C13H19BrN2O/c1-8(2)9(3)7-16-13(17)11-6-10(15)4-5-12(11)14/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeyWWRJBACUGXXRFB-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.05
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

5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211065
5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide
CID 114098924
5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103296542
5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromobenzamide
CID 114167042
5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 64571210
(2S)-4-[(5-amino-2-bromobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006881
N-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide
CID 113265782
5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide
CID 64682347
3,5-diamino-N-(2,3-dimethylbutyl)benzamide
CID 64570999
5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide
CID 64597105
5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333048
(2R)-2-[(5-amino-2-bromobenzoyl)amino]-4-methylpentanoic acid
CID 115297303

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide (CID 64568794) is 5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide is CC(C)C(C)CNC(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide?
The InChIKey is WWRJBACUGXXRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-8(2)9(3)7-16-13(17)11-6-10(15)4-5-12(11)14/h4-6,8-9H,7,15H2,1-3H3,(H,16,17).
What are the key properties of 5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide?
5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide has a molecular weight of 299.21 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide is sourced from PubChem (CID 64568794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).