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

C11H15BrN2O2 — CID 104578412

IUPAC4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide
SMILESCOC1CC(NC(=O)c2cc(Br)cn2C)C1
InChIInChI=1S/C11H15BrN2O2/c1-14-6-7(12)3-10(14)11(15)13-8-4-9(5-8)16-2/h3,6,8-9H,4-5H2,1-2H3,(H,13,15)
InChIKeyMEYBHMCXXSIUCZ-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.69
Rot. Bonds3

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

4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide (PubChem CID 104578412) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide
PubChem CID104578412
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide
SMILESCOC1CC(NC(=O)c2cc(Br)cn2C)C1
InChIInChI=1S/C11H15BrN2O2/c1-14-6-7(12)3-10(14)11(15)13-8-4-9(5-8)16-2/h3,6,8-9H,4-5H2,1-2H3,(H,13,15)
InChIKeyMEYBHMCXXSIUCZ-UHFFFAOYSA-N
XLogP1.69
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-methyl-N-(2-methylcyclopropyl)pyrrole-2-carboxamide
CID 62408030
4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62379331
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
CID 79036256
4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide
CID 61244506
4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
CID 103954038
ethyl 4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 60932820
4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide
CID 104578402
2,5-dibromo-N-(3-methoxycyclobutyl)benzamide
CID 104920723
4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
CID 60956390
4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115670996
4-bromo-1-methyl-N-(4-methylpiperazin-1-yl)pyrrole-2-carboxamide
CID 115279131
4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide
CID 115634355

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide (CID 104578412) is 4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide is COC1CC(NC(=O)c2cc(Br)cn2C)C1.
What is the InChIKey of 4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is MEYBHMCXXSIUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-14-6-7(12)3-10(14)11(15)13-8-4-9(5-8)16-2/h3,6,8-9H,4-5H2,1-2H3,(H,13,15).
What are the key properties of 4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 104578412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).