4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide

C13H21BrN2O2 — CID 112754506

IUPAC4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCOC(C)CN(C)C(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C13H21BrN2O2/c1-9(2)16-8-11(14)6-12(16)13(17)15(4)7-10(3)18-5/h6,8-10H,7H2,1-5H3
InChIKeyOCHLDDYUYMQYRV-UHFFFAOYSA-N
MW317.23 g/mol
LogP2.94
Rot. Bonds5

About 4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 112754506) has the molecular formula C13H21BrN2O2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID112754506
Molecular FormulaC13H21BrN2O2
Molecular Weight317.23 g/mol
Exact Mass316.08
IUPAC Name4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCOC(C)CN(C)C(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C13H21BrN2O2/c1-9(2)16-8-11(14)6-12(16)13(17)15(4)7-10(3)18-5/h6,8-10H,7H2,1-5H3
InChIKeyOCHLDDYUYMQYRV-UHFFFAOYSA-N
XLogP2.94
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 60954917
4-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-methylamino]butanoic acid
CID 43640140
N-(3-amino-2,2-dimethylpropyl)-4-bromo-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 79652985
4-bromo-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 78895643
4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 62335560
4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 64511499
4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641536
4-bromo-N-methyl-N-pentan-2-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 43641769
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-propan-2-ylamino]acetic acid
CID 60831562
4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115772438
4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115661025
4-bromo-N-(4-hydroxyphenyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 43640162

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (CID 112754506) is 4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is COC(C)CN(C)C(=O)c1cc(Br)cn1C(C)C.
What is the InChIKey of 4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is OCHLDDYUYMQYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2/c1-9(2)16-8-11(14)6-12(16)13(17)15(4)7-10(3)18-5/h6,8-10H,7H2,1-5H3.
What are the key properties of 4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 317.23 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 112754506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).