4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide

C10H15BrN2O2 — CID 18108948

IUPAC4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
SMILESCCOCCCNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C10H15BrN2O2/c1-2-15-5-3-4-12-10(14)9-6-8(11)7-13-9/h6-7,13H,2-5H2,1H3,(H,12,14)
InChIKeyQVPOARLNLYSJPQ-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.93
Rot. Bonds6

About 4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide (PubChem CID 18108948) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
PubChem CID18108948
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
SMILESCCOCCCNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C10H15BrN2O2/c1-2-15-5-3-4-12-10(14)9-6-8(11)7-13-9/h6-7,13H,2-5H2,1H3,(H,12,14)
InChIKeyQVPOARLNLYSJPQ-UHFFFAOYSA-N
XLogP1.93
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 43642461
4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43601766
N-(3-aminopropyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 61249115
4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide
CID 63871118
4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 115589400
N-(4-amino-4-oxobutyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 47191038
4-bromo-N-(3-methylsulfonylpropyl)-1H-pyrrole-2-carboxamide
CID 55139504
4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide
CID 115637079
4-bromo-N-[3-(cyclopropylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43596530
3-bromo-N-(3-ethoxypropyl)-5-methylbenzamide
CID 104851824
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 83120766
4-bromo-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 32979369

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide (CID 18108948) is 4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide is CCOCCCNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is QVPOARLNLYSJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-2-15-5-3-4-12-10(14)9-6-8(11)7-13-9/h6-7,13H,2-5H2,1H3,(H,12,14).
What are the key properties of 4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 275.15 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18108948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).