4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide

C11H17BrN2O2 — CID 43411143

IUPAC4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide
SMILESCCOCCCNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C11H17BrN2O2/c1-3-16-6-4-5-13-11(15)10-7-9(12)8-14(10)2/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyMPCLDWDLINQAKI-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.94
Rot. Bonds6

About 4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide (PubChem CID 43411143) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide
PubChem CID43411143
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide
SMILESCCOCCCNC(=O)c1cc(Br)cn1C
InChIInChI=1S/C11H17BrN2O2/c1-3-16-6-4-5-13-11(15)10-7-9(12)8-14(10)2/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyMPCLDWDLINQAKI-UHFFFAOYSA-N
XLogP1.94
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide 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-N-(3-ethenoxypropyl)-1-methylpyrrole-2-carboxamide
CID 60701929
ethyl 4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]butanoate
CID 60698954
4-bromo-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 60698861
4-bromo-N-(3-cyclopentylpropyl)-1-methylpyrrole-2-carboxamide
CID 113221337
4-bromo-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrrole-2-carboxamide
CID 60712476
4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide
CID 82943572
4-bromo-1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrole-2-carboxamide
CID 60698250
3-bromo-N-(3-ethoxypropyl)-5-methylbenzamide
CID 104851824
4-bromo-1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 60701907
4-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 103767831
4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide
CID 113247680
2,4-dibromo-N-(3-ethoxypropyl)benzamide
CID 103882188

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide (CID 43411143) is 4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide is CCOCCCNC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is MPCLDWDLINQAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-3-16-6-4-5-13-11(15)10-7-9(12)8-14(10)2/h7-8H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 289.17 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43411143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).