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'}

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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).