4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide

C16H19BrN2O2 — CID 62378773

IUPAC4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCCCOc1ccccc1
InChIInChI=1S/C16H19BrN2O2/c1-2-19-12-13(17)11-15(19)16(20)18-9-6-10-21-14-7-4-3-5-8-14/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,18,20)
InChIKeyOIVPHOLSUARETG-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.47
Rot. Bonds7

About 4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide

4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide (PubChem CID 62378773) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
PubChem CID62378773
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCCCOc1ccccc1
InChIInChI=1S/C16H19BrN2O2/c1-2-19-12-13(17)11-15(19)16(20)18-9-6-10-21-14-7-4-3-5-8-14/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,18,20)
InChIKeyOIVPHOLSUARETG-UHFFFAOYSA-N
XLogP3.47
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 60698861
4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide
CID 56585571
3,5-dibromo-N-(3-phenoxypropyl)benzamide
CID 107980421
N-(5-amino-5-oxopentyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 113347877
4-bromo-1-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyrrole-2-carboxamide
CID 103636124
4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62379112
3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide
CID 107952345
N-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride
CID 119527518
4-bromo-1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrole-2-carboxamide
CID 60698250
2,5-dibromo-N-(2-phenoxyethyl)benzamide
CID 114372083
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
CID 60956181

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide (CID 62378773) is 4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NCCCOc1ccccc1.
What is the InChIKey of 4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide?
The InChIKey is OIVPHOLSUARETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-2-19-12-13(17)11-15(19)16(20)18-9-6-10-21-14-7-4-3-5-8-14/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,18,20).
What are the key properties of 4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide has a molecular weight of 351.24 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 62378773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).