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

C15H23BrN2O2 — CID 115360483

IUPAC4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C15H23BrN2O2/c1-11(2)18-8-12(16)7-13(18)14(20)17-9-15(10-19)5-3-4-6-15/h7-8,11,19H,3-6,9-10H2,1-2H3,(H,17,20)
InChIKeyBOGRYYHOFBNDEH-UHFFFAOYSA-N
MW343.26 g/mol
LogP3.11
Rot. Bonds5

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

4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 115360483) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.26 g/mol. Its IUPAC name is 4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID115360483
Molecular FormulaC15H23BrN2O2
Molecular Weight343.26 g/mol
Exact Mass342.09
IUPAC Name4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C15H23BrN2O2/c1-11(2)18-8-12(16)7-13(18)14(20)17-9-15(10-19)5-3-4-6-15/h7-8,11,19H,3-6,9-10H2,1-2H3,(H,17,20)
InChIKeyBOGRYYHOFBNDEH-UHFFFAOYSA-N
XLogP3.11
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propylpyrrole-2-carboxamide
CID 115360482
4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115878266
1-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43640141
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115869201
4-bromo-N-[2-(2-methylpropanoylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61248454
4-bromo-N-but-2-ynyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115866879
N-(3-aminobutyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 63253541
4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide
CID 113294464
N-(3-amino-2,2-difluoropropyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 114383747
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]ethyl carbamate
CID 83203517
4-bromo-N-[3-(ethylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 43640199
4-bromo-N-[2-(2-hydroxypropylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 104593748

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 115360483) is 4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)NCC1(CO)CCCC1.
What is the InChIKey of 4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is BOGRYYHOFBNDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-11(2)18-8-12(16)7-13(18)14(20)17-9-15(10-19)5-3-4-6-15/h7-8,11,19H,3-6,9-10H2,1-2H3,(H,17,20).
What are the key properties of 4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 343.26 g/mol, XLogP of 3.11, 5 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)cyclopentyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 115360483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).