2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide

C15H17BrN4O — CID 79704385

IUPAC2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)NC1CCCC1n1ccnc1
InChIInChI=1S/C15H17BrN4O/c16-10-4-5-11(12(17)8-10)15(21)19-13-2-1-3-14(13)20-7-6-18-9-20/h4-9,13-14H,1-3,17H2,(H,19,21)
InChIKeyPFEOPENNWNQXHD-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.75
Rot. Bonds3

About 2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide

2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide (PubChem CID 79704385) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide
PubChem CID79704385
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)NC1CCCC1n1ccnc1
InChIInChI=1S/C15H17BrN4O/c16-10-4-5-11(12(17)8-10)15(21)19-13-2-1-3-14(13)20-7-6-18-9-20/h4-9,13-14H,1-3,17H2,(H,19,21)
InChIKeyPFEOPENNWNQXHD-UHFFFAOYSA-N
XLogP2.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)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

2-bromo-4-chloro-N-(2-imidazol-1-ylcyclopentyl)benzamide
CID 103763911
2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide
CID 103755463
2-amino-4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107221910
5-chloro-N-(2-imidazol-1-ylcyclopentyl)furan-2-carboxamide
CID 103617988
2-amino-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 43713486
2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide
CID 79714631
N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136587543
N-(2-imidazol-1-ylcyclopentyl)-2-(methylamino)acetamide
CID 43713522
2-amino-4-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 79706556
5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide
CID 43701618
N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 95980741
N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
CID 136587523

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide (CID 79704385) is 2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide is Nc1cc(Br)ccc1C(=O)NC1CCCC1n1ccnc1.
What is the InChIKey of 2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide?
The InChIKey is PFEOPENNWNQXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-10-4-5-11(12(17)8-10)15(21)19-13-2-1-3-14(13)20-7-6-18-9-20/h4-9,13-14H,1-3,17H2,(H,19,21).
What are the key properties of 2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide?
2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide has a molecular weight of 349.23 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide is sourced from PubChem (CID 79704385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).