4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide

C15H23BrN2O — CID 64908073

IUPAC4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc(Br)cn2C(C)C)C1C
InChIInChI=1S/C15H23BrN2O/c1-9(2)18-8-12(16)7-14(18)15(19)17-13-6-5-10(3)11(13)4/h7-11,13H,5-6H2,1-4H3,(H,17,19)
InChIKeyAKJCKPWKNQFOTB-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.00
Rot. Bonds3

About 4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 64908073) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID64908073
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc(Br)cn2C(C)C)C1C
InChIInChI=1S/C15H23BrN2O/c1-9(2)18-8-12(16)7-14(18)15(19)17-13-6-5-10(3)11(13)4/h7-11,13H,5-6H2,1-4H3,(H,17,19)
InChIKeyAKJCKPWKNQFOTB-UHFFFAOYSA-N
XLogP4.00
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 62408223
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813510
4-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60956389
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60955990
4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115670996
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 43640186
4-bromo-N-(1,1-dioxothiolan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640729
4-bromo-1-methyl-N-(2-methylcyclopropyl)pyrrole-2-carboxamide
CID 62408030
4-bromo-N-(3-methylsulfanylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 103707546
4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylpyrrole-2-carboxamide
CID 103868655
4-bromo-N-[(4-ethylcyclohexyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 63525824
4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 64908073) is 4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide is CC1CCC(NC(=O)c2cc(Br)cn2C(C)C)C1C.
What is the InChIKey of 4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is AKJCKPWKNQFOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-9(2)18-8-12(16)7-14(18)15(19)17-13-6-5-10(3)11(13)4/h7-11,13H,5-6H2,1-4H3,(H,17,19).
What are the key properties of 4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 327.27 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 64908073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).