4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide

C11H17BrN2O2 — CID 43639903

IUPAC4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCCCO
InChIInChI=1S/C11H17BrN2O2/c1-2-5-14-8-9(12)7-10(14)11(16)13-4-3-6-15/h7-8,15H,2-6H2,1H3,(H,13,16)
InChIKeyLSNJDJZSVNWQKE-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.77
Rot. Bonds6

About 4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide (PubChem CID 43639903) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
PubChem CID43639903
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCCCO
InChIInChI=1S/C11H17BrN2O2/c1-2-5-14-8-9(12)7-10(14)11(16)13-4-3-6-15/h7-8,15H,2-6H2,1H3,(H,13,16)
InChIKeyLSNJDJZSVNWQKE-UHFFFAOYSA-N
XLogP1.77
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.77
H-Bond Donors ≤ 52
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-N-(4-propan-2-yloxybutyl)-1-propylpyrrole-2-carboxamide
CID 106012274
4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641423
4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641464
4-bromo-N-[3-(dimethylamino)-3-oxopropyl]-1-propylpyrrole-2-carboxamide
CID 54934711
4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66175814
4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 79351058
4-bromo-N-[2-(4-hydroxyphenyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 61018298
4-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-1-propylpyrrole-2-carboxamide
CID 61022215
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62675869
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 103007206
4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 61242007

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide (CID 43639903) is 4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NCCCO.
What is the InChIKey of 4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is LSNJDJZSVNWQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-2-5-14-8-9(12)7-10(14)11(16)13-4-3-6-15/h7-8,15H,2-6H2,1H3,(H,13,16).
What are the key properties of 4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 289.17 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43639903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).