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

C13H19BrN2O — CID 115670996

IUPAC4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC1CC(NC(=O)c2cc(Br)cn2C(C)C)C1
InChIInChI=1S/C13H19BrN2O/c1-8(2)16-7-10(14)6-12(16)13(17)15-11-4-9(3)5-11/h6-9,11H,4-5H2,1-3H3,(H,15,17)
InChIKeyAWRNSRRLMFZAKX-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.36
Rot. Bonds3

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

4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 115670996) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID115670996
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC1CC(NC(=O)c2cc(Br)cn2C(C)C)C1
InChIInChI=1S/C13H19BrN2O/c1-8(2)16-7-10(14)6-12(16)13(17)15-11-4-9(3)5-11/h6-9,11H,4-5H2,1-3H3,(H,15,17)
InChIKeyAWRNSRRLMFZAKX-UHFFFAOYSA-N
XLogP3.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.36
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
4-amino-N-(3,5-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64733030
4-bromo-N-(1,1-dioxothiolan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640729
4-bromo-N-(3-methylsulfanylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 103707546
4-bromo-N-(2,3-dimethylcyclopentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64908073
4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide
CID 64734090
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 43640186
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
4-bromo-N-[2-(2-methylpropanoylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61248454
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60955990
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 55061421

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 115670996) is 4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide is CC1CC(NC(=O)c2cc(Br)cn2C(C)C)C1.
What is the InChIKey of 4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is AWRNSRRLMFZAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-8(2)16-7-10(14)6-12(16)13(17)15-11-4-9(3)5-11/h6-9,11H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 299.21 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methylcyclobutyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 115670996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).