N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide

C15H16BrN3O — CID 79741368

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C15H16BrN3O/c1-19-8-10(16)7-14(19)15(20)18-13-5-2-9-6-11(17)3-4-12(9)13/h3-4,6-8,13H,2,5,17H2,1H3,(H,18,20)
InChIKeyKZATVKMYEMLIQD-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.79
Rot. Bonds2

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide (PubChem CID 79741368) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide
PubChem CID79741368
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C15H16BrN3O/c1-19-8-10(16)7-14(19)15(20)18-13-5-2-9-6-11(17)3-4-12(9)13/h3-4,6-8,13H,2,5,17H2,1H3,(H,18,20)
InChIKeyKZATVKMYEMLIQD-UHFFFAOYSA-N
XLogP2.79
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
CID 79740821
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-2-methylbenzamide
CID 79722653
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide
CID 107940112
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 79741279
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide
CID 79741197
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 79723212
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
CID 82870824
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-4-methylbenzamide
CID 79723797
N-(5-amino-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 79741002
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide
CID 79721854
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-5-methylbenzamide
CID 81316696

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide (CID 79741368) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)NC1CCc2cc(N)ccc21.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide?
The InChIKey is KZATVKMYEMLIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-19-8-10(16)7-14(19)15(20)18-13-5-2-9-6-11(17)3-4-12(9)13/h3-4,6-8,13H,2,5,17H2,1H3,(H,18,20).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromo-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 79741368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).