4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide

C14H23BrN2O2 — CID 82943572

IUPAC4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide
SMILESCCCOCCCNC(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C14H23BrN2O2/c1-4-7-19-8-5-6-16-14(18)13-9-12(15)10-17(13)11(2)3/h9-11H,4-8H2,1-3H3,(H,16,18)
InChIKeyMVGOFWUCQCPODN-UHFFFAOYSA-N
MW331.25 g/mol
LogP3.38
Rot. Bonds8

About 4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide

4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide (PubChem CID 82943572) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide
PubChem CID82943572
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC Name4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide
SMILESCCCOCCCNC(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C14H23BrN2O2/c1-4-7-19-8-5-6-16-14(18)13-9-12(15)10-17(13)11(2)3/h9-11H,4-8H2,1-3H3,(H,16,18)
InChIKeyMVGOFWUCQCPODN-UHFFFAOYSA-N
XLogP3.38
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-butoxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61175688
4-bromo-N-[3-(ethylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 43640199
4-bromo-N-(4-methylpentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54913924
4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 113244818
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]ethyl carbamate
CID 83203517
4-bromo-N-[2-(2-methylpropanoylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61248454
4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide
CID 61132628
N-(3-aminobutyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 63253541
4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide
CID 43411143
4-bromo-N-[(4-ethylcyclohexyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 63525824
4-bromo-N-[2-(2-hydroxypropylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 104593748
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 78895723

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide (CID 82943572) is 4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide is CCCOCCCNC(=O)c1cc(Br)cn1C(C)C.
What is the InChIKey of 4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide?
The InChIKey is MVGOFWUCQCPODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2/c1-4-7-19-8-5-6-16-14(18)13-9-12(15)10-17(13)11(2)3/h9-11H,4-8H2,1-3H3,(H,16,18).
What are the key properties of 4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide?
4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide has a molecular weight of 331.25 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 82943572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).