4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide

C15H23BrN2O — CID 106012286

IUPAC4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCCCC1CCCC1
InChIInChI=1S/C15H23BrN2O/c1-2-18-11-13(16)10-14(18)15(19)17-9-5-8-12-6-3-4-7-12/h10-12H,2-9H2,1H3,(H,17,19)
InChIKeyDWYUWAMWENLZTO-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.97
Rot. Bonds6

About 4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide

4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 106012286) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide
PubChem CID106012286
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCCCC1CCCC1
InChIInChI=1S/C15H23BrN2O/c1-2-18-11-13(16)10-14(18)15(19)17-9-5-8-12-6-3-4-7-12/h10-12H,2-9H2,1H3,(H,17,19)
InChIKeyDWYUWAMWENLZTO-UHFFFAOYSA-N
XLogP3.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(3-cyclopentylpropyl)-1-methylpyrrole-2-carboxamide
CID 113221337
N-(5-amino-5-oxopentyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 113347877
4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
CID 55211463
3,5-dibromo-N-(3-cyclopentylpropyl)benzamide
CID 106012306
4-bromo-N-(2,2-dimethylbutyl)-1-ethylpyrrole-2-carboxamide
CID 103461921
4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide
CID 66005799
4-bromo-1-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyrrole-2-carboxamide
CID 103636124
4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide
CID 63525805
4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide
CID 55222795
4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119510103
4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide
CID 61212021
4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62378773

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide (CID 106012286) is 4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NCCCC1CCCC1.
What is the InChIKey of 4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is DWYUWAMWENLZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-2-18-11-13(16)10-14(18)15(19)17-9-5-8-12-6-3-4-7-12/h10-12H,2-9H2,1H3,(H,17,19).
What are the key properties of 4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide?
4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 327.27 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 106012286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).