4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide

C13H19BrN2O2 — CID 115878266

IUPAC4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NC1(CO)CCC1
InChIInChI=1S/C13H19BrN2O2/c1-9(2)16-7-10(14)6-11(16)12(18)15-13(8-17)4-3-5-13/h6-7,9,17H,3-5,8H2,1-2H3,(H,15,18)
InChIKeyBPAJFROBOGYVOC-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.48
Rot. Bonds4

About 4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 115878266) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID115878266
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NC1(CO)CCC1
InChIInChI=1S/C13H19BrN2O2/c1-9(2)16-7-10(14)6-11(16)12(18)15-13(8-17)4-3-5-13/h6-7,9,17H,3-5,8H2,1-2H3,(H,15,18)
InChIKeyBPAJFROBOGYVOC-UHFFFAOYSA-N
XLogP2.48
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43640141
4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115360483
N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-propan-2-ylpyrrole-2-carboxamide;hydrochloride
CID 120508068
4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 62408223
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]oxyacetic acid
CID 63929907
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
CID 115878497
3-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 64670742
4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60954918
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813510
4-bromo-N-but-2-ynyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115866879
4-bromo-N-[2-(2-hydroxypropylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 104593748
5-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]hexanoic acid
CID 82855293

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 115878266) is 4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)NC1(CO)CCC1.
What is the InChIKey of 4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is BPAJFROBOGYVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-9(2)16-7-10(14)6-11(16)12(18)15-13(8-17)4-3-5-13/h6-7,9,17H,3-5,8H2,1-2H3,(H,15,18).
What are the key properties of 4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 315.21 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 115878266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).