4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide

C12H17BrN2O2 — CID 43641446

IUPAC4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide
SMILESCOCCCNC(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C12H17BrN2O2/c1-17-6-2-5-14-12(16)11-7-9(13)8-15(11)10-3-4-10/h7-8,10H,2-6H2,1H3,(H,14,16)
InChIKeyOBMYCAGYDZXYQA-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.35
Rot. Bonds6

About 4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide (PubChem CID 43641446) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide
PubChem CID43641446
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide
SMILESCOCCCNC(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C12H17BrN2O2/c1-17-6-2-5-14-12(16)11-7-9(13)8-15(11)10-3-4-10/h7-8,10H,2-6H2,1H3,(H,14,16)
InChIKeyOBMYCAGYDZXYQA-UHFFFAOYSA-N
XLogP2.35
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.35
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-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 43640614
methyl 4-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]butanoate
CID 61249864
4-bromo-1-cyclopropyl-N-(3-methylsulfonylpropyl)pyrrole-2-carboxamide
CID 54905476
4-bromo-1-cyclopropyl-N-(2,2-dimethoxyethyl)pyrrole-2-carboxamide
CID 61248178
4-bromo-1-cyclopropyl-N-(2-ethylsulfonylethyl)pyrrole-2-carboxamide
CID 114111098
4-bromo-1-cyclopropyl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 62659546
4-bromo-1-cyclopropyl-N-[2-(dimethylcarbamoylamino)ethyl]pyrrole-2-carboxamide
CID 83121332
4-bromo-1-cyclopropyl-N-(2-phenylsulfanylethyl)pyrrole-2-carboxamide
CID 60977099
4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide
CID 61018427
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 82950994
4-bromo-1-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 80683115
4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 43640775

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide (CID 43641446) is 4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide is COCCCNC(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide?
The InChIKey is OBMYCAGYDZXYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-17-6-2-5-14-12(16)11-7-9(13)8-15(11)10-3-4-10/h7-8,10H,2-6H2,1H3,(H,14,16).
What are the key properties of 4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide has a molecular weight of 301.18 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43641446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).