4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide

C14H18BrN3O — CID 114905706

IUPAC4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide
SMILESNC(=O)c1ccc(Br)cc1N1CCC2CCC(C1)N2
InChIInChI=1S/C14H18BrN3O/c15-9-1-4-12(14(16)19)13(7-9)18-6-5-10-2-3-11(8-18)17-10/h1,4,7,10-11,17H,2-3,5-6,8H2,(H2,16,19)
InChIKeyGDDLTWNJZBAGMP-UHFFFAOYSA-N
MW324.22 g/mol
LogP1.88
Rot. Bonds2

About 4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide

4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide (PubChem CID 114905706) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide
PubChem CID114905706
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide
SMILESNC(=O)c1ccc(Br)cc1N1CCC2CCC(C1)N2
InChIInChI=1S/C14H18BrN3O/c15-9-1-4-12(14(16)19)13(7-9)18-6-5-10-2-3-11(8-18)17-10/h1,4,7,10-11,17H,2-3,5-6,8H2,(H2,16,19)
InChIKeyGDDLTWNJZBAGMP-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-(4-methylpiperidin-1-yl)benzamide
CID 69307708
4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzonitrile
CID 114905705
2-chloro-6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide
CID 115314662
(5-bromo-2-chlorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638411
(5-bromo-2-methylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119635913
(4-bromo-2-methoxyphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119637081
4-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 63163842
4-bromo-2-(3-tert-butylpyrrolidin-1-yl)benzenecarbothioamide
CID 114903502
2-(3-amino-4-methylpiperidin-1-yl)-5-bromobenzamide
CID 114894017
4-bromo-2-(4-methylpiperidin-1-yl)benzenecarbothioamide
CID 114902551
4-bromo-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide
CID 141421891
4-bromo-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 114902817

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide?
The IUPAC name of 4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide (CID 114905706) is 4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide.
What is the SMILES notation for 4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide?
The canonical SMILES for 4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide is NC(=O)c1ccc(Br)cc1N1CCC2CCC(C1)N2.
What is the InChIKey of 4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide?
The InChIKey is GDDLTWNJZBAGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c15-9-1-4-12(14(16)19)13(7-9)18-6-5-10-2-3-11(8-18)17-10/h1,4,7,10-11,17H,2-3,5-6,8H2,(H2,16,19).
What are the key properties of 4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide?
4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide has a molecular weight of 324.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide is sourced from PubChem (CID 114905706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).