4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide

C15H18BrN3O2 — CID 61114305

IUPAC4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)c1cc(N)cn1C
InChIInChI=1S/C15H18BrN3O2/c1-18(15(20)14-9-12(17)10-19(14)2)7-8-21-13-5-3-11(16)4-6-13/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyAARGFPHYSOJJPC-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.52
Rot. Bonds5

About 4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide

4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 61114305) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID61114305
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)c1cc(N)cn1C
InChIInChI=1S/C15H18BrN3O2/c1-18(15(20)14-9-12(17)10-19(14)2)7-8-21-13-5-3-11(16)4-6-13/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyAARGFPHYSOJJPC-UHFFFAOYSA-N
XLogP2.52
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
CID 61266801
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CID 112793987
N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 112793960
(2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide
CID 93367597
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
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CID 67422693
N-[2-(4-bromophenoxy)ethyl]-N,7-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 24514953
4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide
CID 27811339
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 31206491
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60937922
5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 35979056

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide (CID 61114305) is 4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide is CN(CCOc1ccc(Br)cc1)C(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is AARGFPHYSOJJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-18(15(20)14-9-12(17)10-19(14)2)7-8-21-13-5-3-11(16)4-6-13/h3-6,9-10H,7-8,17H2,1-2H3.
What are the key properties of 4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 352.23 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-bromophenoxy)ethyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 61114305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).