4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide

C14H21BrN2O2 — CID 113244818

IUPAC4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NCCOCC1CC1
InChIInChI=1S/C14H21BrN2O2/c1-10(2)17-8-12(15)7-13(17)14(18)16-5-6-19-9-11-3-4-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,18)
InChIKeyZRUYSTZGYZJKML-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.99
Rot. Bonds7

About 4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 113244818) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID113244818
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NCCOCC1CC1
InChIInChI=1S/C14H21BrN2O2/c1-10(2)17-8-12(15)7-13(17)14(18)16-5-6-19-9-11-3-4-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,18)
InChIKeyZRUYSTZGYZJKML-UHFFFAOYSA-N
XLogP2.99
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.99
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-[(4-ethylcyclohexyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 63525824
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]ethyl carbamate
CID 83203517
4-bromo-1-propan-2-yl-N-(3-propoxypropyl)pyrrole-2-carboxamide
CID 82943572
4-bromo-N-[2-(2-methylpropanoylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61248454
N-(3-aminobutyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 63253541
4-bromo-N-(4-methylpentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54913924
1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea
CID 58213381
4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide
CID 61208730
4-bromo-N-[2-(2-hydroxypropylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 104593748
4-bromo-N-[3-(ethylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 43640199
4-bromo-1-propan-2-yl-N-(3-sulfamoylpropyl)pyrrole-2-carboxamide
CID 61132628

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 113244818) is 4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)NCCOCC1CC1.
What is the InChIKey of 4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is ZRUYSTZGYZJKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-10(2)17-8-12(15)7-13(17)14(18)16-5-6-19-9-11-3-4-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,18).
What are the key properties of 4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 329.24 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 113244818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).