4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide

C13H18BrN3O2 — CID 54877638

IUPAC4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide
SMILESCCN(CC(=O)NC)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C13H18BrN3O2/c1-3-16(8-12(18)15-2)13(19)11-6-9(14)7-17(11)10-4-5-10/h6-7,10H,3-5,8H2,1-2H3,(H,15,18)
InChIKeyUXDWLTRULBWWDG-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.79
Rot. Bonds5

About 4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide (PubChem CID 54877638) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide
PubChem CID54877638
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide
SMILESCCN(CC(=O)NC)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C13H18BrN3O2/c1-3-16(8-12(18)15-2)13(19)11-6-9(14)7-17(11)10-4-5-10/h6-7,10H,3-5,8H2,1-2H3,(H,15,18)
InChIKeyUXDWLTRULBWWDG-UHFFFAOYSA-N
XLogP1.79
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide (CID 54877638) is 4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide is CCN(CC(=O)NC)C(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide?
The InChIKey is UXDWLTRULBWWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-3-16(8-12(18)15-2)13(19)11-6-9(14)7-17(11)10-4-5-10/h6-7,10H,3-5,8H2,1-2H3,(H,15,18).
What are the key properties of 4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide has a molecular weight of 328.21 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 54877638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).